2-(3-azanyl-2-cyano-4-nitro-phenyl)-2-methyl-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(3-azanyl-2-cyano-4-nitro-phenyl)-2-methyl-3-oxidanylidene-butanoic acid Openeye Name: 2-(3-amino-2-cyano-4-nitro-phenyl)-2-methyl-3-oxo-butanoic acid CAS Name: 2-(3-amino-2-cyano-4-nitrophenyl)-2-methyl-3-oxobutanoic acid IUPAC Name: 2-(3-amino-2-cyano-4-nitrophenyl)-2-methyl-3-oxobutanoic acid Traditional Name: 2-(3-amino-2-cyano-4-nitro-phenyl)-3-keto-2-methyl-butyric acid Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5/c1-6(16)12(2,11(17)18)8-3-4-9(15(19)20)10(14)7(8)5-13/h3-4H,14H2,1-2H3,(H,17,18)