[4-bromanyl-2-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-6-(phenylmethyl)phenyl] benzoate

Systemtic Name: [4-bromanyl-2-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-6-(phenylmethyl)phenyl] benzoate Openeye Name: [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(2-chloro-4-nitroanilino)-oxomethyl]-6-(phenylmethyl)phenyl] ester IUPAC Name: [2-benzyl-4-bromo-6-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] benzoate Traditional Name: benzoic acid [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] ester Formula: C27H18BrClN2O5 MolecularWeight: 565.79922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Br)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Br)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H18BrClN2O5/c28-20-14-19(13-17-7-3-1-4-8-17)25(36-27(33)18-9-5-2-6-10-18)22(15-20)26(32)30-24-12-11-21(31(34)35)16-23(24)29/h1-12,14-16H,13H2,(H,30,32)