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

Systemtic Name: ethyl 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-methyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-methyl-3-oxo-butanoate CAS Name: 2-[2-cyano-3-(methylamino)-4-nitrophenyl]-2-methyl-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[2-cyano-3-(methylamino)-4-nitrophenyl]-2-methyl-3-oxobutanoate Traditional Name: 2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-3-keto-2-methyl-butyric acid ethyl ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5/c1-5-23-14(20)15(3,9(2)19)11-6-7-12(18(21)22)13(17-4)10(11)8-16/h6-7,17H,5H2,1-4H3