Chem
J-GLOBAL ID:200907000581752644
Nikkaji number:J461.327I
2-Methyl-4-morpholino-6-(o-nitrophenyl)-1,3-cyclohexadiene-1,5-dicarboxylic acid dimethyl ester
2-メチル-4-モルホリノ-6-(o-ニトロフェニル)-1,3-シクロヘキサジエン-1,5-ジカルボン酸ジメチル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C21 H24 N[N+]O6 [O-]
Molecular formula furigana:
C21-H24-N2-O7
Molecular weight:
416.430
InChI:
InChI=1S/C21H24N2O7/c1-13-12-16(22-8-10-30-11-9-22)19(21(25)29-3)18(17(13)20(24)28-2)14-6-4-5-7-15(14)23(26)27/h4-7,12,18-19H,8-11H2,1-3H3
InChI key:
KRVSKMPNOVINRY-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(C(=C(C)C=C1N1CCOCC1)C(=O)OC)c1ccccc1[N+](=O)[O-]
Systematic name (3):
2-メチル-4-モルホリノ-6-(o-ニトロフェニル)-1,3-シクロヘキサジエン-1,5-ジカルボン酸ジメチル
1,3-ジメチル 4-メチル-6-(モルホリン-4-イル)-2-(2-ニトロフェニル)シクロヘキサ-3,5-ジエン-1,3-ジカルボキシラート
1,3-dimethyl 4-methyl-6-(morpholin-4-yl)-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate
Other name (1):
2-Methyl-4-morpholino-6-(o-nitrophenyl)-1,3-cyclohexadiene-1,5-dicarboxylic acid dimethyl ester
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