(2E)-2-[4-(2-methylpropanoylamino)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxylic acid

Systemtic Name: (2E)-2-[4-(2-methylpropanoylamino)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxylic acid Openeye Name: (2E)-2-[4-(2-methylpropanoylamino)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxylic acid CAS Name: (2E)-2-[4-[(2-methyl-1-oxopropyl)amino]-1,2-dihydropyrazol-3-ylidene]-5-benzimidazolecarboxylic acid IUPAC Name: (2E)-2-[4-(2-methylpropanoylamino)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxylic acid Traditional Name: (2E)-2-[4-(isobutyrylamino)-3-pyrazolin-3-ylidene]benzimidazole-5-carboxylic acid Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CNNC1=C2N=C3C=CC(=CC3=N2)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC\1=CNN/C1=C/2\N=C3C=CC(=CC3=N2)C(=O)O

InChI

InChI=1S/C15H15N5O3/c1-7(2)14(21)19-11-6-16-20-12(11)13-17-9-4-3-8(15(22)23)5-10(9)18-13/h3-7,16,20H,1-2H3,(H,19,21)(H,22,23)/b13-12+