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

Systemtic Name: ethyl 2-azanyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carboxylate Openeye Name: ethyl 2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carboxylate CAS Name: 2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carboxylate Traditional Name: 2-amino-1-(4-nitrophenyl)-5H-pyrid[3,2-b]indol-1-ium-3-carboxylic acid ethyl ester Formula: C20H17N4O4+ MolecularWeight: 377.37338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2)[N+](=C1N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2)[N+](=C1N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4/c1-2-28-20(25)15-11-17-18(14-5-3-4-6-16(14)22-17)23(19(15)21)12-7-9-13(10-8-12)24(26)27/h3-11H,2H2,1H3,(H2,21,22,25)/p+1