[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C17H12BrClN2O5 MolecularWeight: 439.64458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrClN2O5/c18-12-4-1-11(2-5-12)3-8-17(23)26-10-16(22)20-13-6-7-14(19)15(9-13)21(24)25/h1-9H,10H2,(H,20,22)/b8-3+