[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-11-5-3-4-6-13(11)19-16(21)10-25-17(22)12-7-8-14(18-2)15(9-12)20(23)24/h3-9,18H,10H2,1-2H3,(H,19,21)