4-(4-benzamido-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoic acid

Systemtic Name: 4-(4-benzamido-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoic acid Openeye Name: 4-(4-benzamido-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid CAS Name: 4-(4-benzamido-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid IUPAC Name: 4-(4-benzamido-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid Traditional Name: 4-(4-benzamido-5-keto-3-methyl-3-pyrazolin-1-yl)benzoic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O4/c1-11-15(19-16(22)12-5-3-2-4-6-12)17(23)21(20-11)14-9-7-13(8-10-14)18(24)25/h2-10,20H,1H3,(H,19,22)(H,24,25)