1-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-ethanoyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-ethanoyl-pyrrole-2-carboxylic acid Openeye Name: 4-acetyl-1-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)pyrrole-2-carboxylic acid CAS Name: 4-acetyl-1-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-pyrrolecarboxylic acid IUPAC Name: 4-acetyl-1-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)pyrrole-2-carboxylic acid Traditional Name: 4-acetyl-1-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)pyrrole-2-carboxylic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#N)N2C=C(C=C2C(=O)O)C(=O)C)C

Isomeric SMILES

CC1=C(NC(=C1C#N)N2C=C(C=C2C(=O)O)C(=O)C)C

InChI

InChI=1S/C14H13N3O3/c1-7-8(2)16-13(11(7)5-15)17-6-10(9(3)18)4-12(17)14(19)20/h4,6,16H,1-3H3,(H,19,20)