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

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N2O5/c1-11-6-4-5-7-15(11)19-17(21)13(3)25-18(22)14-8-9-16(20(23)24)12(2)10-14/h4-10,13H,1-3H3,(H,19,21)