methyl 2-[2-(1H-benzimidazol-2-yl)-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate

Systemtic Name: methyl 2-[2-(1H-benzimidazol-2-yl)-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate Openeye Name: methyl 2-[2-(1H-benzimidazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate CAS Name: 2-[2-(1H-benzimidazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1H-benzimidazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate Traditional Name: 2-[1-(1H-benzimidazol-2-yl)-5-keto-3-pyrazolin-3-yl]acetic acid methyl ester Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N(N1)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)CC1=CC(=O)N(N1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C13H12N4O3/c1-20-12(19)7-8-6-11(18)17(16-8)13-14-9-4-2-3-5-10(9)15-13/h2-6,16H,7H2,1H3,(H,14,15)