4-nitro-2-[(5S)-4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl]phenolate

Systemtic Name: 4-nitro-2-[(5S)-4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl]phenolate Openeye Name: 4-nitro-2-[(5S)-4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl]phenolate CAS Name: 4-nitro-2-[(5S)-4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl]phenolate IUPAC Name: 4-nitro-2-[(5S)-4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl]phenolate Traditional Name: 2-[(5S)-4-keto-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl]-4-nitro-phenolate Formula: C23H17N2O4- MolecularWeight: 385.39208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C=CC(=C5)[N+](=O)[O-])[O-])C(=O)C1

Isomeric SMILES

C1CC2=C([C@@H](NC3=C2C4=CC=CC=C4C=C3)C5=C(C=CC(=C5)[N+](=O)[O-])[O-])C(=O)C1

InChI

InChI=1S/C23H18N2O4/c26-19-11-9-14(25(28)29)12-17(19)23-22-16(6-3-7-20(22)27)21-15-5-2-1-4-13(15)8-10-18(21)24-23/h1-2,4-5,8-12,23-24,26H,3,6-7H2/p-1/t23-/m0/s1