[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(phenylmethyl)benzoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(phenylmethyl)benzoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C23H19ClN2O5 MolecularWeight: 438.86036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C23H19ClN2O5/c1-15(22(27)25-21-14-18(26(29)30)11-12-20(21)24)31-23(28)19-10-6-5-9-17(19)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,25,27)