[1-bromanyl-1-(3-nitrophenyl)-3-oxidanylidene-3-phenyl-propan-2-yl] 3-benzamidobenzoate

Systemtic Name: [1-bromanyl-1-(3-nitrophenyl)-3-oxidanylidene-3-phenyl-propan-2-yl] 3-benzamidobenzoate Openeye Name: [1-benzoyl-2-bromo-2-(3-nitrophenyl)ethyl] 3-benzamidobenzoate CAS Name: 3-benzamidobenzoic acid [1-bromo-1-(3-nitrophenyl)-3-oxo-3-phenylpropan-2-yl] ester IUPAC Name: [1-bromo-1-(3-nitrophenyl)-3-oxo-3-phenylpropan-2-yl] 3-benzamidobenzoate Traditional Name: 3-benzamidobenzoic acid [1-benzoyl-2-bromo-2-(3-nitrophenyl)ethyl] ester Formula: C29H21BrN2O6 MolecularWeight: 573.39084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(C2=CC(=CC=C2)[N+](=O)[O-])Br)OC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(C2=CC(=CC=C2)[N+](=O)[O-])Br)OC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H21BrN2O6/c30-25(21-13-8-16-24(18-21)32(36)37)27(26(33)19-9-3-1-4-10-19)38-29(35)22-14-7-15-23(17-22)31-28(34)20-11-5-2-6-12-20/h1-18,25,27H,(H,31,34)