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

Systemtic Name: 2,2-dimethyl-5-(3-nitro-4-oxidanyl-phenyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(4-hydroxy-3-nitro-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(4-hydroxy-3-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(4-hydroxy-3-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(4-hydroxy-3-nitro-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C25H22N2O4 MolecularWeight: 414.45318

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4/c1-25(2)12-17-22-16-6-4-3-5-14(16)7-9-18(22)26-24(23(17)21(29)13-25)15-8-10-20(28)19(11-15)27(30)31/h3-11,24,26,28H,12-13H2,1-2H3