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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrFN2O5/c18-12-3-1-2-11(8-12)4-7-17(23)26-10-16(22)20-15-9-13(21(24)25)5-6-14(15)19/h1-9H,10H2,(H,20,22)/b7-4+