[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-11-4-3-5-14(10-11)18-16(20)12(2)24-17(21)13-6-8-15(9-7-13)19(22)23/h3-10,12H,1-2H3,(H,18,20)