[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-2-propenoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)acrylic 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=C(C=C(C=C1)C=CC(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-4-29-18-10-8-15(12-19(18)28-3)9-11-20(24)30-14(2)21(25)22-16-6-5-7-17(13-16)23(26)27/h5-14H,4H2,1-3H3,(H,22,25)/b11-9+