5-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 5-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-oxidanyl-benzoic acid Openeye Name: 5-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-hydroxy-benzoic acid CAS Name: 5-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-hydroxybenzoic acid IUPAC Name: 5-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-(4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoic acid Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)O)C(=O)O)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)O)C(=O)O)C(=O)C1)C

InChI

InChI=1S/C26H23NO4/c1-26(2)12-18-22-16-6-4-3-5-14(16)7-9-19(22)27-24(23(18)21(29)13-26)15-8-10-20(28)17(11-15)25(30)31/h3-11,24,27-28H,12-13H2,1-2H3,(H,30,31)