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

Systemtic Name: 4-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzoic acid Openeye Name: 4-[[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzoic acid CAS Name: 4-[[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylideneamino]benzoic acid IUPAC Name: 4-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzoic acid Traditional Name: 4-[[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzoic acid Formula: C26H17N3O4 MolecularWeight: 435.43088

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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=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=NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H17N3O4/c30-25(31)17-10-12-20(13-11-17)27-15-19-16-29(21-7-2-1-3-8-21)28-24(19)22-14-18-6-4-5-9-23(18)33-26(22)32/h1-16H,(H,30,31)