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

Systemtic Name: ditert-butyl (5E)-5-(2-ethoxy-2-oxidanylidene-ethylidene)-1-oxidanylidene-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate Openeye Name: ditert-butyl (5E)-5-(2-ethoxy-2-oxo-ethylidene)-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate CAS Name: (5E)-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 (5E)-5-(2-ethoxy-2-oxoethylidene)-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate Traditional Name: (5E)-5-(2-ethoxy-2-keto-ethylidene)-1-keto-3,4-dihydroazepin[3,4-b]indole-2,10-dicarboxylic acid ditert-butyl ester Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CCN(C(=O)C2=C1C3=CC=CC=C3N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O7/c1-8-33-19(29)15-16-13-14-27(23(31)34-25(2,3)4)22(30)21-20(16)17-11-9-10-12-18(17)28(21)24(32)35-26(5,6)7/h9-12,15H,8,13-14H2,1-7H3/b16-15+