[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,3-dimethoxyphenyl)acrylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H17BrN2O7 MolecularWeight: 465.25148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C19H17BrN2O7/c1-27-16-5-3-4-12(19(16)28-2)6-9-18(24)29-11-17(23)21-15-8-7-13(22(25)26)10-14(15)20/h3-10H,11H2,1-2H3,(H,21,23)/b9-6+