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

Systemtic Name: [4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C

InChI

InChI=1S/C23H22N4O4/c1-12-5-4-6-16(11-12)23(30)31-17-9-7-15(8-10-17)20(18-13(2)24-26-21(18)28)19-14(3)25-27-22(19)29/h4-11,20H,1-3H3,(H2,24,26,28)(H2,25,27,29)