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

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

Systemtic Name:2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-methyl-3-oxidanylidene-butanoic acid
Openeye Name:2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-methyl-3-oxo-butanoic acid
CAS Name:2-[2-cyano-3-(methylamino)-4-nitrophenyl]-2-methyl-3-oxobutanoic acid
IUPAC Name:2-[2-cyano-3-(methylamino)-4-nitrophenyl]-2-methyl-3-oxobutanoic acid
Traditional Name:2-[2-cyano-3-(methylamino)-4-nitro-phenyl]-3-keto-2-methyl-butyric acid
Formula: C13H13N3O5
MolecularWeight: 291.25942
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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