[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-phenoxyethanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-phenoxyethanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H17BrN2O6 MolecularWeight: 485.28418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H17BrN2O6/c23-18-13-16(25(28)29)11-12-19(18)24-22(27)21(15-7-3-1-4-8-15)31-20(26)14-30-17-9-5-2-6-10-17/h1-13,21H,14H2,(H,24,27)