4-[(4Z)-3-methyl-5-oxidanylidene-4-(quinolin-8-ylmethylidene)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-(quinolin-8-ylmethylidene)pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-(8-quinolylmethylene)pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-(8-quinolinylmethylidene)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-(quinolin-8-ylmethylidene)pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-(8-quinolylmethylene)-2-pyrazolin-1-yl]benzoic acid Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC3=C2N=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CC3=C2N=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15N3O3/c1-13-18(12-16-5-2-4-14-6-3-11-22-19(14)16)20(25)24(23-13)17-9-7-15(8-10-17)21(26)27/h2-12H,1H3,(H,26,27)/b18-12-