4-bromanyl-2-[(5S)-2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitro-phenolate

Systemtic Name: 4-bromanyl-2-[(5S)-2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitro-phenolate CAS Name: 4-bromo-2-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitrophenolate Traditional Name: 4-bromo-2-[(5S)-4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitro-phenolate Formula: C25H20BrN2O4- MolecularWeight: 492.3413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC2=C([C@@H](NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC(=C5[O-])[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/p-1/t23-/m0/s1