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

Systemtic Name: [4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] 2-methylbenzoate Openeye Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)OC

InChI

InChI=1S/C24H24N4O5/c1-12-7-5-6-8-16(12)24(31)33-17-10-9-15(11-18(17)32-4)21(19-13(2)25-27-22(19)29)20-14(3)26-28-23(20)30/h5-11,21H,1-4H3,(H2,25,27,29)(H2,26,28,30)