[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C23H19BrN2O6 MolecularWeight: 499.31076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H19BrN2O6/c1-14-8-11-20(31-2)18(12-14)25-22(27)21(15-6-4-3-5-7-15)32-23(28)16-9-10-17(24)19(13-16)26(29)30/h3-13,21H,1-2H3,(H,25,27)