propan-2-yl 5-oxidanylidene-6,7,8,9-tetrahydropyridazino[4,3-c]azepine-3-carboxylate

Systemtic Name: propan-2-yl 5-oxidanylidene-6,7,8,9-tetrahydropyridazino[4,3-c]azepine-3-carboxylate Openeye Name: isopropyl 5-oxo-6,7,8,9-tetrahydropyridazino[4,3-c]azepine-3-carboxylate CAS Name: 5-oxo-6,7,8,9-tetrahydropyridazino[4,3-c]azepine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-oxo-6,7,8,9-tetrahydropyridazino[4,3-c]azepine-3-carboxylate Traditional Name: 5-keto-6,7,8,9-tetrahydropyridazin[4,3-c]azepine-3-carboxylic acid isopropyl ester Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=NN=C2CCCNC(=O)C2=C1

Isomeric SMILES

CC(C)OC(=O)C1=NN=C2CCCNC(=O)C2=C1

InChI

InChI=1S/C12H15N3O3/c1-7(2)18-12(17)10-6-8-9(14-15-10)4-3-5-13-11(8)16/h6-7H,3-5H2,1-2H3,(H,13,16)