1-(7-acetyloxy-4-oxidanylidene-chromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: 1-(7-acetyloxy-4-oxidanylidene-chromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: 1-(7-acetoxy-4-oxo-chromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: 1-(7-acetyloxy-4-oxo-1-benzopyran-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: 1-(7-acetyloxy-4-oxochromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: 1-(7-acetoxy-4-keto-chromen-3-yl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3C4=C(CC([NH2+]3)C(=O)[O-])C5=CC=CC=C5N4

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3C4=C(CC([NH2+]3)C(=O)[O-])C5=CC=CC=C5N4

InChI

InChI=1S/C23H18N2O6/c1-11(26)31-12-6-7-14-19(8-12)30-10-16(22(14)27)21-20-15(9-18(25-21)23(28)29)13-4-2-3-5-17(13)24-20/h2-8,10,18,21,24-25H,9H2,1H3,(H,28,29)