[1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(benzhydrylamino)-1-methyl-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-[(diphenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(benzhydrylamino)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(benzhydrylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5/c1-16-15-20(13-14-21(16)26(29)30)24(28)31-17(2)23(27)25-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,22H,1-2H3,(H,25,27)