5-(1H-indol-3-yl)-5-oxidanyl-4-oxidanylidene-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylic acid

Systemtic Name: 5-(1H-indol-3-yl)-5-oxidanyl-4-oxidanylidene-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylic acid Openeye Name: 5-hydroxy-5-(1H-indol-3-yl)-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylic acid CAS Name: 5-hydroxy-5-(1H-indol-3-yl)-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylic acid IUPAC Name: 5-hydroxy-5-(1H-indol-3-yl)-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylic acid Traditional Name: 5-hydroxy-5-(1H-indol-3-yl)-4-keto-1,2,3,6-tetrahydroazepin[4,5-b]indole-2-carboxylic acid Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(C2=C1C3=CC=CC=C3N2)(C4=CNC5=CC=CC=C54)O)C(=O)O

Isomeric SMILES

C1C(NC(=O)C(C2=C1C3=CC=CC=C3N2)(C4=CNC5=CC=CC=C54)O)C(=O)O

InChI

InChI=1S/C21H17N3O4/c25-19(26)17-9-13-11-5-1-4-8-16(11)23-18(13)21(28,20(27)24-17)14-10-22-15-7-3-2-6-12(14)15/h1-8,10,17,22-23,28H,9H2,(H,24,27)(H,25,26)