methyl 5-oxidanyl-4-oxidanylidene-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: methyl 5-oxidanyl-4-oxidanylidene-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate Openeye Name: methyl 5-hydroxy-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate CAS Name: 5-hydroxy-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 5-hydroxy-4-keto-1,2,3,6-tetrahydroazepin[4,5-b]indole-5-carboxylic acid methyl ester Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=C(CCNC1=O)C3=CC=CC=C3N2)O

Isomeric SMILES

COC(=O)C1(C2=C(CCNC1=O)C3=CC=CC=C3N2)O

InChI

InChI=1S/C14H14N2O4/c1-20-13(18)14(19)11-9(6-7-15-12(14)17)8-4-2-3-5-10(8)16-11/h2-5,16,19H,6-7H2,1H3,(H,15,17)