3-[(2E)-2-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylidene]hydrazinyl]benzoic acid

Systemtic Name: 3-[(2E)-2-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylidene]hydrazinyl]benzoic acid Openeye Name: 3-[(2E)-2-[[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methylene]hydrazino]benzoic acid CAS Name: 3-[(2E)-2-[[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylidene]hydrazinyl]benzoic acid IUPAC Name: 3-[(2E)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzoic acid Traditional Name: 3-[(N'E)-N'-[[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methylene]hydrazino]benzoic acid Formula: C26H18N4O4 MolecularWeight: 450.44552

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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=NNC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H18N4O4/c31-25(32)18-8-6-9-20(13-18)28-27-15-19-16-30(21-10-2-1-3-11-21)29-24(19)22-14-17-7-4-5-12-23(17)34-26(22)33/h1-16,28H,(H,31,32)/b27-15+