dimethyl 5a,8-dihydro-1H-pyridazino[4,5-b]azepine-6,9-dicarboxylate

Systemtic Name: dimethyl 5a,8-dihydro-1H-pyridazino[4,5-b]azepine-6,9-dicarboxylate Openeye Name: dimethyl 5a,8-dihydro-1H-pyridazino[4,5-b]azepine-6,9-dicarboxylate CAS Name: 5a,8-dihydro-1H-pyridazino[4,5-b]azepine-6,9-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5a,8-dihydro-1H-pyridazino[4,5-b]azepine-6,9-dicarboxylate Traditional Name: 5a,8-dihydro-1H-pyridazin[4,5-b]azepine-6,9-dicarboxylic acid dimethyl ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC(=C2C1C=CC=CN2)C(=O)OC

Isomeric SMILES

COC(=O)C1=NNC(=C2C1C=CC=CN2)C(=O)OC

InChI

InChI=1S/C12H13N3O4/c1-18-11(16)9-7-5-3-4-6-13-8(7)10(15-14-9)12(17)19-2/h3-7,13,15H,1-2H3