2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-[[(E)-(phenylmethylidene)amino]carbamoyl]benzoic acid

Systemtic Name: 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-[[(E)-(phenylmethylidene)amino]carbamoyl]benzoic acid Openeye Name: 5-[[(E)-benzylideneamino]carbamoyl]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-[oxo-[(2E)-2-(phenylmethylene)hydrazinyl]methyl]benzoic acid IUPAC Name: 5-[[(E)-benzylideneamino]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-[[(E)-benzalamino]carbamoyl]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C28H18N2O6 MolecularWeight: 478.45232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=NNC(=O)C2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O

InChI

InChI=1S/C28H18N2O6/c31-18-7-10-21-24(13-18)36-25-14-19(32)8-11-22(25)26(21)20-9-6-17(12-23(20)28(34)35)27(33)30-29-15-16-4-2-1-3-5-16/h1-15,31H,(H,30,33)(H,34,35)/b29-15+