[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-12-7-9-14(10-8-12)11-19-17(21)13(2)25-18(22)15-5-3-4-6-16(15)20(23)24/h3-10,13H,11H2,1-2H3,(H,19,21)