[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C18H16N2O7 MolecularWeight: 372.32884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N2O7/c1-26-16-10-12(2-8-15(16)21)3-9-18(23)27-11-17(22)19-13-4-6-14(7-5-13)20(24)25/h2-10,21H,11H2,1H3,(H,19,22)/b9-3+