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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate CAS Name: 5-methyl-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 4-keto-5-methyl-1,2,3,6-tetrahydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-3-21-15(20)16(2)13-11(8-9-17-14(16)19)10-6-4-5-7-12(10)18-13/h4-7,18H,3,8-9H2,1-2H3,(H,17,19)