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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

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