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

Systemtic Name: 5-(4-bromanyl-3-nitro-phenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one Openeye Name: 5-(4-bromo-3-nitro-phenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one CAS Name: 5-(4-bromo-3-nitrophenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one IUPAC Name: 5-(4-bromo-3-nitrophenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one Traditional Name: 5-(4-bromo-3-nitro-phenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one Formula: C25H21BrN2O3 MolecularWeight: 477.34984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC(=C(C=C5)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC(=C(C=C5)Br)[N+](=O)[O-])C

InChI

InChI=1S/C25H21BrN2O3/c1-25(2)12-17-23(21(29)13-25)22-16-6-4-3-5-14(16)8-10-19(22)27-24(17)15-7-9-18(26)20(11-15)28(30)31/h3-11,24,27H,12-13H2,1-2H3