5-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one

Systemtic Name: 5-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(5-bromo-2-hydroxy-3-nitro-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(5-bromo-2-hydroxy-3-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(5-bromo-2-hydroxy-3-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(5-bromo-2-hydroxy-3-nitro-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C25H21BrN2O4 MolecularWeight: 493.34924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC(=C5O)[N+](=O)[O-])Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC(=C5O)[N+](=O)[O-])Br)C(=O)C1)C

InChI

InChI=1S/C25H21BrN2O4/c1-25(2)11-17-21-15-6-4-3-5-13(15)7-8-18(21)27-23(22(17)20(29)12-25)16-9-14(26)10-19(24(16)30)28(31)32/h3-10,23,27,30H,11-12H2,1-2H3