4-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(2-oxochromen-3-yl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 4-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methyl]amino]benzoic acid IUPAC Name: 4-[[3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[3-(2-ketochromen-3-yl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid Formula: C26H17N3O5 MolecularWeight: 451.43028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C(=O)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C(=O)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H17N3O5/c30-24(27-18-12-10-16(11-13-18)25(31)32)21-15-29(19-7-2-1-3-8-19)28-23(21)20-14-17-6-4-5-9-22(17)34-26(20)33/h1-15H,(H,27,30)(H,31,32)