2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-6-(4-methylphenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-6-(4-methylphenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-[(E)-3-(4-chlorophenyl)allyl]-3-oxo-6-(p-tolyl)pyridazine-4-carboxylic acid CAS Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-6-(4-methylphenyl)-3-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-6-(4-methylphenyl)-3-oxopyridazine-4-carboxylic acid Traditional Name: 2-[(E)-3-(4-chlorophenyl)allyl]-3-keto-6-(p-tolyl)pyridazine-4-carboxylic acid Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)C(=O)O)CC=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)C(=O)O)C/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O3/c1-14-4-8-16(9-5-14)19-13-18(21(26)27)20(25)24(23-19)12-2-3-15-6-10-17(22)11-7-15/h2-11,13H,12H2,1H3,(H,26,27)/b3-2+