[2-[[(2-chlorophenyl)carbonylamino]methyl]-4,6-dimethyl-phenyl] 3-nitrobenzoate

Systemtic Name: [2-[[(2-chlorophenyl)carbonylamino]methyl]-4,6-dimethyl-phenyl] 3-nitrobenzoate Openeye Name: [2-[[(2-chlorobenzoyl)amino]methyl]-4,6-dimethyl-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[[(2-chlorophenyl)-oxomethyl]amino]methyl]-4,6-dimethylphenyl] ester IUPAC Name: [2-[[(2-chlorobenzoyl)amino]methyl]-4,6-dimethylphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[[(2-chlorobenzoyl)amino]methyl]-4,6-dimethyl-phenyl] ester Formula: C23H19ClN2O5 MolecularWeight: 438.86036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CNC(=O)C2=CC=CC=C2Cl)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)CNC(=O)C2=CC=CC=C2Cl)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H19ClN2O5/c1-14-10-15(2)21(31-23(28)16-6-5-7-18(12-16)26(29)30)17(11-14)13-25-22(27)19-8-3-4-9-20(19)24/h3-12H,13H2,1-2H3,(H,25,27)