(3E)-2-(6-methoxypyridin-3-yl)-3-pyrrol-2-ylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: (3E)-2-(6-methoxypyridin-3-yl)-3-pyrrol-2-ylidene-1H-pyrazole-5-carboxylic acid Openeye Name: (3E)-2-(6-methoxy-3-pyridyl)-3-pyrrol-2-ylidene-1H-pyrazole-5-carboxylic acid CAS Name: (3E)-2-(6-methoxy-3-pyridinyl)-3-(2-pyrrolylidene)-1H-pyrazole-5-carboxylic acid IUPAC Name: (3E)-2-(6-methoxypyridin-3-yl)-3-pyrrol-2-ylidene-1H-pyrazole-5-carboxylic acid Traditional Name: (5E)-1-(6-methoxy-3-pyridyl)-5-pyrrol-2-ylidene-3-pyrazoline-3-carboxylic acid Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=C3C=CC=N3)C=C(N2)C(=O)O

Isomeric SMILES

COC1=NC=C(C=C1)N2/C(=C/3\C=CC=N3)/C=C(N2)C(=O)O

InChI

InChI=1S/C14H12N4O3/c1-21-13-5-4-9(8-16-13)18-12(10-3-2-6-15-10)7-11(17-18)14(19)20/h2-8,17H,1H3,(H,19,20)/b12-10+