[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-3-29-18-9-7-15(8-10-18)19(24)11-12-20(25)30-14(2)21(26)22-16-5-4-6-17(13-16)23(27)28/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,26)