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

Systemtic Name: [4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-ethoxy-phenyl] ester Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H26N4O5/c1-5-33-19-12-17(10-11-18(19)34-25(32)16-8-6-13(2)7-9-16)22(20-14(3)26-28-23(20)30)21-15(4)27-29-24(21)31/h6-12,22H,5H2,1-4H3,(H2,26,28,30)(H2,27,29,31)