2-[4-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[(1-oxoisochromane-3-carbonyl)amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[(1-ketoisochroman-3-carbonyl)amino]phenyl]cinchoninic acid Formula: C26H18N2O5 MolecularWeight: 438.43152

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O

InChI

InChI=1S/C26H18N2O5/c29-24(23-13-16-5-1-2-6-18(16)26(32)33-23)27-17-11-9-15(10-12-17)22-14-20(25(30)31)19-7-3-4-8-21(19)28-22/h1-12,14,23H,13H2,(H,27,29)(H,30,31)