(4-nitrophenyl) 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-carboxylate chloride

Systemtic Name: (4-nitrophenyl) 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-carboxylate chloride Openeye Name: (4-nitrophenyl) 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-carboxylate chloride CAS Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-carboxylic acid (4-nitrophenyl) ester chloride IUPAC Name: (4-nitrophenyl) 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-carboxylate chloride Traditional Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-carboxylic acid (4-nitrophenyl) ester chloride Formula: C24H18ClN3O4 MolecularWeight: 447.87042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C)C5=CC=CC=C5N2.[Cl-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C)C5=CC=CC=C5N2.[Cl-]

InChI

InChI=1S/C24H17N3O4.ClH/c1-14-20-13-26(24(28)31-17-9-7-16(8-10-17)27(29)30)12-11-18(20)15(2)23-22(14)19-5-3-4-6-21(19)25-23;/h3-13H,1-2H3;1H