1-(3-methyl-5-nitro-2-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: 1-(3-methyl-5-nitro-2-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: 1-(2-hydroxy-3-methyl-5-nitro-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: 1-(2-hydroxy-3-methyl-5-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: 1-(2-hydroxy-3-methyl-5-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: 1-(2-hydroxy-3-methyl-5-nitro-phenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C2C3=C(CC([NH2+]2)C(=O)[O-])C4=CC=CC=C4N3)O

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C2C3=C(CC([NH2+]2)C(=O)[O-])C4=CC=CC=C4N3)O

InChI

InChI=1S/C19H17N3O5/c1-9-6-10(22(26)27)7-13(18(9)23)17-16-12(8-15(21-17)19(24)25)11-4-2-3-5-14(11)20-16/h2-7,15,17,20-21,23H,8H2,1H3,(H,24,25)