tetramethyl 6-cyano-9,10-dihydro-5H-azepino[1,2-a]benzimidazole-7,8,9,10-tetracarboxylate

Systemtic Name: tetramethyl 6-cyano-9,10-dihydro-5H-azepino[1,2-a]benzimidazole-7,8,9,10-tetracarboxylate Openeye Name: tetramethyl 6-cyano-9,10-dihydro-5H-azepino[1,2-a]benzimidazole-7,8,9,10-tetracarboxylate CAS Name: 6-cyano-9,10-dihydro-5H-azepino[1,2-a]benzimidazole-7,8,9,10-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl 6-cyano-9,10-dihydro-5H-azepino[1,2-a]benzimidazole-7,8,9,10-tetracarboxylate Traditional Name: 6-cyano-9,10-dihydro-5H-azepino[1,2-a]benzimidazole-7,8,9,10-tetracarboxylic acid tetramethyl ester Formula: C21H19N3O8 MolecularWeight: 441.39086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N2C3=CC=CC=C3NC2=C(C(=C1C(=O)OC)C(=O)OC)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1C(N2C3=CC=CC=C3NC2=C(C(=C1C(=O)OC)C(=O)OC)C#N)C(=O)OC

InChI

InChI=1S/C21H19N3O8/c1-29-18(25)13-10(9-22)17-23-11-7-5-6-8-12(11)24(17)16(21(28)32-4)15(20(27)31-3)14(13)19(26)30-2/h5-8,15-16,23H,1-4H3