tetraethyl 9,9a-dihydro-3H-pyridazino[3,4-b]indole-1,2,3,4-tetracarboxylate

Systemtic Name: tetraethyl 9,9a-dihydro-3H-pyridazino[3,4-b]indole-1,2,3,4-tetracarboxylate Openeye Name: tetraethyl 9,9a-dihydro-3H-pyridazino[3,4-b]indole-1,2,3,4-tetracarboxylate CAS Name: 9,9a-dihydro-3H-pyridazino[3,4-b]indole-1,2,3,4-tetracarboxylic acid tetraethyl ester IUPAC Name: tetraethyl 9,9a-dihydro-3H-pyridazino[3,4-b]indole-1,2,3,4-tetracarboxylate Traditional Name: 9,9a-dihydro-3H-pyridazin[3,4-b]indole-1,2,3,4-tetracarboxylic acid tetraethyl ester Formula: C22H27N3O8 MolecularWeight: 461.46508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C2C(NC3=CC=CC=C32)N(N1C(=O)OCC)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1C(=C2C(NC3=CC=CC=C32)N(N1C(=O)OCC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H27N3O8/c1-5-30-19(26)16-15-13-11-9-10-12-14(13)23-18(15)25(22(29)33-8-4)24(21(28)32-7-3)17(16)20(27)31-6-2/h9-12,17-18,23H,5-8H2,1-4H3