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

Systemtic Name: 5-(3,5-dinitro-2-oxidanyl-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(2-hydroxy-3,5-dinitro-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(2-hydroxy-3,5-dinitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(2-hydroxy-3,5-dinitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(2-hydroxy-3,5-dinitro-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C25H21N3O6 MolecularWeight: 459.45074

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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-])[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O6/c1-25(2)11-17-21-15-6-4-3-5-13(15)7-8-18(21)26-23(22(17)20(29)12-25)16-9-14(27(31)32)10-19(24(16)30)28(33)34/h3-10,23,26,30H,11-12H2,1-2H3