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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [1-methyl-2-(4-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-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-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-(4-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=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-4-29-18-11-5-15(13-19(18)28-3)6-12-20(24)30-14(2)21(25)22-16-7-9-17(10-8-16)23(26)27/h5-14H,4H2,1-3H3,(H,22,25)/b12-6+