methyl 2-[methyl-(4-nitrophenyl)amino]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[methyl-(4-nitrophenyl)amino]-3-oxidanylidene-butanoate Openeye Name: methyl 2-(N-methyl-4-nitro-anilino)-3-oxo-butanoate CAS Name: 2-(N-methyl-4-nitroanilino)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(N-methyl-4-nitroanilino)-3-oxobutanoate Traditional Name: 3-keto-2-(N-methyl-4-nitro-anilino)butyric acid methyl ester Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-8(15)11(12(16)19-3)13(2)9-4-6-10(7-5-9)14(17)18/h4-7,11H,1-3H3