3-[[(E)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[(E)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[(E)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[(E)-[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]-4-methyl-benzoic acid Formula: C19H16IN3O3 MolecularWeight: 461.25311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)I)C

InChI

InChI=1S/C19H16IN3O3/c1-11-3-4-13(19(25)26)9-17(11)21-10-16-12(2)22-23(18(16)24)15-7-5-14(20)6-8-15/h3-10,21H,1-2H3,(H,25,26)/b16-10+