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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenoxybenzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-phenoxybenzoate CAS Name: 2-phenoxybenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-phenoxybenzoate Traditional Name: 2-phenoxybenzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H15BrN2O6 MolecularWeight: 471.2576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H15BrN2O6/c22-17-12-14(24(27)28)10-11-18(17)23-20(25)13-29-21(26)16-8-4-5-9-19(16)30-15-6-2-1-3-7-15/h1-12H,13H2,(H,23,25)