(4-iodophenyl) (5E)-5-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate

Systemtic Name: (4-iodophenyl) (5E)-5-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Openeye Name: (4-iodophenyl) (5E)-5-(5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate CAS Name: (5E)-5-(5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxylic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) (5E)-5-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Traditional Name: (5E)-5-(6-keto-5-methyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxylic acid (4-iodophenyl) ester Formula: C17H13IN2O3 MolecularWeight: 420.20119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C2C=C(NN2)C(=O)OC3=CC=C(C=C3)I)C1=O

Isomeric SMILES

CC1=CC=C/C(=C\2/C=C(NN2)C(=O)OC3=CC=C(C=C3)I)/C1=O

InChI

InChI=1S/C17H13IN2O3/c1-10-3-2-4-13(16(10)21)14-9-15(20-19-14)17(22)23-12-7-5-11(18)6-8-12/h2-9,19-20H,1H3/b14-13+