[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-bromophenyl)prop-2-enoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] (E)-3-(2-bromophenyl)prop-2-enoate CAS Name: (E)-3-(2-bromophenyl)-2-propenoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] (E)-3-(2-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromophenyl)acrylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C17H13BrN2O5 MolecularWeight: 405.19952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O5/c18-15-4-2-1-3-12(15)5-10-17(22)25-11-16(21)19-13-6-8-14(9-7-13)20(23)24/h1-10H,11H2,(H,19,21)/b10-5+