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

Systemtic Name: 2-oxidanyl-4-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzoic acid Openeye Name: 2-hydroxy-4-[[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzoic acid CAS Name: 2-hydroxy-4-[[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylideneamino]benzoic acid IUPAC Name: 2-hydroxy-4-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzoic acid Traditional Name: 2-hydroxy-4-[[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzoic acid Formula: C26H17N3O5 MolecularWeight: 451.43028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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