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

Systemtic Name: 2-[(5S)-2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-4-nitro-phenolate Openeye Name: 2-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-4-nitro-phenolate CAS Name: 2-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-4-nitrophenolate IUPAC Name: 2-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-4-nitrophenolate Traditional Name: 2-[(5S)-4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-4-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)12-18-22-16-6-4-3-5-14(16)7-9-19(22)26-24(23(18)21(29)13-25)17-11-15(27(30)31)8-10-20(17)28/h3-11,24,26,28H,12-13H2,1-2H3/p-1/t24-/m0/s1