[2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-[(2-nitrophenyl)amino]propanoate

Systemtic Name: [2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-[(2-nitrophenyl)amino]propanoate Openeye Name: [2-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 3-(2-nitroanilino)propanoate CAS Name: 3-(2-nitroanilino)propanoic acid [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-(2-nitroanilino)propanoate Traditional Name: 3-(2-nitroanilino)propionic acid [4-[(E)-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-27-18-13-14(8-10-19(23)28-2)7-9-17(18)29-20(24)11-12-21-15-5-3-4-6-16(15)22(25)26/h3-10,13,21H,11-12H2,1-2H3/b10-8+