ethyl 2-methyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carboxylate chloride

Systemtic Name: ethyl 2-methyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carboxylate chloride Openeye Name: ethyl 2-methyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carboxylate chloride CAS Name: 2-methyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carboxylic acid ethyl ester chloride IUPAC Name: ethyl 2-methyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carboxylate chloride Traditional Name: 2-methyl-1-(4-nitrophenyl)-5H-pyrid[3,2-b]indol-1-ium-3-carboxylic acid ethyl ester chloride Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2)[N+](=C1C)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2)[N+](=C1C)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H17N3O4.ClH/c1-3-28-21(25)17-12-19-20(16-6-4-5-7-18(16)22-19)23(13(17)2)14-8-10-15(11-9-14)24(26)27;/h4-12H,3H2,1-2H3;1H