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

Systemtic Name: [4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C4=C(NNC4=O)C

InChI

InChI=1S/C23H22N4O5/c1-12-18(21(28)26-24-12)20(19-13(2)25-27-22(19)29)15-9-10-16(17(11-15)31-3)32-23(30)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H2,24,26,28)(H2,25,27,29)