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

Systemtic Name: ethyl 5-oxidanyl-4-oxidanylidene-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c1-2-21-14(19)15(20)12-10(7-8-16-13(15)18)9-5-3-4-6-11(9)17-12/h3-6,17,20H,2,7-8H2,1H3,(H,16,18)