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

Systemtic Name: 4-[(5R)-2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-2-nitro-phenolate Openeye Name: 4-[(5R)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-2-nitro-phenolate CAS Name: 4-[(5R)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-2-nitrophenolate IUPAC Name: 4-[(5R)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-2-nitrophenolate Traditional Name: 4-[(5R)-4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-2-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=CC(=C(C=C5)[O-])[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](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/p-1/t24-/m1/s1