(2,6-dimethyl-4-nitro-phenyl) 5-methylphenanthridin-5-ium-6-carboxylate

Systemtic Name: (2,6-dimethyl-4-nitro-phenyl) 5-methylphenanthridin-5-ium-6-carboxylate Openeye Name: (2,6-dimethyl-4-nitro-phenyl) 5-methylphenanthridin-5-ium-6-carboxylate CAS Name: 5-methyl-6-phenanthridin-5-iumcarboxylic acid (2,6-dimethyl-4-nitrophenyl) ester IUPAC Name: (2,6-dimethyl-4-nitrophenyl) 5-methylphenanthridin-5-ium-6-carboxylate Traditional Name: 5-methylphenanthridin-5-ium-6-carboxylic acid (2,6-dimethyl-4-nitro-phenyl) ester Formula: C23H19N2O4+ MolecularWeight: 387.40796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=[N+](C3=CC=CC=C3C4=CC=CC=C42)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=[N+](C3=CC=CC=C3C4=CC=CC=C42)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H19N2O4/c1-14-12-16(25(27)28)13-15(2)22(14)29-23(26)21-19-10-5-4-8-17(19)18-9-6-7-11-20(18)24(21)3/h4-13H,1-3H3/q+1