3-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzoic acid

Systemtic Name: 3-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzoic acid Openeye Name: 3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]benzoic acid CAS Name: 3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]benzoic acid IUPAC Name: 3-[[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]benzoic acid Traditional Name: 3-[[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]benzoic acid Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O3/c1-11-16(10-20-14-4-2-3-12(9-14)18(24)25)17(23)22(21-11)15-7-5-13(19)6-8-15/h2-10,20H,1H3,(H,24,25)