methyl 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoate CAS Name: 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoate Traditional Name: 3-[1-(1H-benzimidazol-2-yl)-5-keto-3-methyl-3-pyrazolin-4-yl]propionic acid methyl ester Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)CCC(=O)OC

InChI

InChI=1S/C15H16N4O3/c1-9-10(7-8-13(20)22-2)14(21)19(18-9)15-16-11-5-3-4-6-12(11)17-15/h3-6,18H,7-8H2,1-2H3,(H,16,17)