[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H12BrFN2O5 MolecularWeight: 423.189983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrFN2O5/c18-12-6-7-13(19)11(9-12)5-8-17(23)26-10-16(22)20-14-3-1-2-4-15(14)21(24)25/h1-9H,10H2,(H,20,22)/b8-5+