methyl 4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]benzoate

Systemtic Name: methyl 4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]benzoate Openeye Name: methyl 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]benzoate CAS Name: 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]benzoate Traditional Name: 4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]benzoic acid methyl ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(NNC3=O)C

InChI

InChI=1S/C17H18N4O4/c1-8-12(15(22)20-18-8)14(13-9(2)19-21-16(13)23)10-4-6-11(7-5-10)17(24)25-3/h4-7,14H,1-3H3,(H2,18,20,22)(H2,19,21,23)