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

Systemtic Name: 2-[(5S)-2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitro-phenolate Openeye Name: 2-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitro-phenolate CAS Name: 2-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitrophenolate IUPAC Name: 2-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitrophenolate Traditional Name: 2-[(5S)-4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-6-nitro-phenolate Formula: C25H21N2O4- MolecularWeight: 413.44524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4/c1-25(2)12-17-21-15-7-4-3-6-14(15)10-11-18(21)26-23(22(17)20(28)13-25)16-8-5-9-19(24(16)29)27(30)31/h3-11,23,26,29H,12-13H2,1-2H3/p-1/t23-/m0/s1