methyl 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-3-oxo-butanoate CAS Name: 2-[2-cyano-3-(methylamino)-4-nitrophenyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[2-cyano-3-(methylamino)-4-nitrophenyl]-3-oxobutanoate Traditional Name: 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-3-keto-butyric acid methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-7(17)11(13(18)21-3)8-4-5-10(16(19)20)12(15-2)9(8)6-14/h4-5,11,15H,1-3H3