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

Systemtic Name: 2-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]benzoic acid Openeye Name: 2-[[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]amino]benzoic acid CAS Name: 2-[[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]amino]benzoic acid IUPAC Name: 2-[[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]benzoic acid Traditional Name: 2-[[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]amino]benzoic acid Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=CC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3/c1-12-15(11-19-16-10-6-5-9-14(16)18(23)24)17(22)21(20-12)13-7-3-2-4-8-13/h2-11,19H,1H3,(H,23,24)/b15-11+