[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-27-17-8-6-15(11-18(17)28-2)12-21-19(23)13-29-20(24)9-7-14-4-3-5-16(10-14)22(25)26/h3-11H,12-13H2,1-2H3,(H,21,23)/b9-7+