ditert-butyl (5Z)-4-bromanyl-5-(2-ethoxy-2-oxidanylidene-ethylidene)-1-oxidanylidene-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate

Systemtic Name: ditert-butyl (5Z)-4-bromanyl-5-(2-ethoxy-2-oxidanylidene-ethylidene)-1-oxidanylidene-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate Openeye Name: ditert-butyl (5Z)-4-bromo-5-(2-ethoxy-2-oxo-ethylidene)-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate CAS Name: (5Z)-4-bromo-5-(2-ethoxy-2-oxoethylidene)-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (5Z)-4-bromo-5-(2-ethoxy-2-oxoethylidene)-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate Traditional Name: (5Z)-4-bromo-5-(2-ethoxy-2-keto-ethylidene)-1-keto-3,4-dihydroazepin[3,4-b]indole-2,10-dicarboxylic acid ditert-butyl ester Formula: C26H31BrN2O7 MolecularWeight: 563.43754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31BrN2O7/c1-8-34-19(30)13-16-17(27)14-28(23(32)35-25(2,3)4)22(31)21-20(16)15-11-9-10-12-18(15)29(21)24(33)36-26(5,6)7/h9-13,17H,8,14H2,1-7H3/b16-13+