5-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]benzoic acid CAS Name: 2-hydroxy-5-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]benzoic acid IUPAC Name: 2-hydroxy-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]benzoic acid Traditional Name: 2-hydroxy-5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methylamino]benzoic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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