[2-iodanyl-6-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] benzoate

Systemtic Name: [2-iodanyl-6-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] benzoate Openeye Name: [2-iodo-6-methoxy-4-[(E)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]phenyl] benzoate CAS Name: benzoic acid [2-iodo-6-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]phenyl] ester IUPAC Name: [2-iodo-6-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [2-iodo-4-[(E)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methyl]-6-methoxy-phenyl] ester Formula: C26H21IN2O4 MolecularWeight: 552.36041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OC(=O)C4=CC=CC=C4)OC)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OC(=O)C4=CC=CC=C4)OC)/C(=N2)C

InChI

InChI=1S/C26H21IN2O4/c1-16-9-11-20(12-10-16)29-25(30)21(17(2)28-29)13-18-14-22(27)24(23(15-18)32-3)33-26(31)19-7-5-4-6-8-19/h4-15H,1-3H3/b21-13+