[4-(phenylcarbamoyl)phenyl]methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 4-bromanyl-3-nitro-benzoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C21H15BrN2O5 MolecularWeight: 455.2582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2O5/c22-18-11-10-16(12-19(18)24(27)28)21(26)29-13-14-6-8-15(9-7-14)20(25)23-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,25)