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2-(butylamino)-5-cyano-6-methanoyl-pyridine-3-carboxylic acid

2-(butylamino)-5-cyano-6-methanoyl-pyridine-3-carboxylic acid

Systemtic Name:2-(butylamino)-5-cyano-6-methanoyl-pyridine-3-carboxylic acid
Openeye Name:2-(butylamino)-5-cyano-6-formyl-pyridine-3-carboxylic acid
CAS Name:2-(butylamino)-5-cyano-6-formyl-3-pyridinecarboxylic acid
IUPAC Name:2-(butylamino)-5-cyano-6-formylpyridine-3-carboxylic acid
Traditional Name:2-(butylamino)-5-cyano-6-formyl-nicotinic acid
Formula: C12H13N3O3
MolecularWeight: 247.24992
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C(=N1)C=O)C#N)C(=O)O


Isomeric SMILES

CCCCNC1=C(C=C(C(=N1)C=O)C#N)C(=O)O


InChI

InChI=1S/C12H13N3O3/c1-2-3-4-14-11-9(12(17)18)5-8(6-13)10(7-16)15-11/h5,7H,2-4H2,1H3,(H,14,15)(H,17,18)


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