tert-butyl (5Z)-4-bromanyl-5-(2-ethoxy-2-oxidanylidene-ethylidene)-1-oxidanylidene-3,4-dihydro-2H-azepino[3,4-b]indole-10-carboxylate

Systemtic Name: tert-butyl (5Z)-4-bromanyl-5-(2-ethoxy-2-oxidanylidene-ethylidene)-1-oxidanylidene-3,4-dihydro-2H-azepino[3,4-b]indole-10-carboxylate Openeye Name: tert-butyl (5Z)-4-bromo-5-(2-ethoxy-2-oxo-ethylidene)-1-oxo-3,4-dihydro-2H-azepino[3,4-b]indole-10-carboxylate CAS Name: (5Z)-4-bromo-5-(2-ethoxy-2-oxoethylidene)-1-oxo-3,4-dihydro-2H-azepino[3,4-b]indole-10-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5Z)-4-bromo-5-(2-ethoxy-2-oxoethylidene)-1-oxo-3,4-dihydro-2H-azepino[3,4-b]indole-10-carboxylate Traditional Name: (5Z)-4-bromo-5-(2-ethoxy-2-keto-ethylidene)-1-keto-3,4-dihydro-2H-azepin[3,4-b]indole-10-carboxylic acid tert-butyl ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1C(CNC(=O)C2=C1C3=CC=CC=C3N2C(=O)OC(C)(C)C)Br

Isomeric SMILES

CCOC(=O)/C=C/1\C(CNC(=O)C2=C1C3=CC=CC=C3N2C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C21H23BrN2O5/c1-5-28-16(25)10-13-14(22)11-23-19(26)18-17(13)12-8-6-7-9-15(12)24(18)20(27)29-21(2,3)4/h6-10,14H,5,11H2,1-4H3,(H,23,26)/b13-10+