ethyl 3-aminocarbonyl-2-cyano-7-ethoxy-6,7-dihydro-1H-1,4-diazepine-5-carboxylate

Systemtic Name: ethyl 3-aminocarbonyl-2-cyano-7-ethoxy-6,7-dihydro-1H-1,4-diazepine-5-carboxylate Openeye Name: ethyl 3-carbamoyl-2-cyano-7-ethoxy-6,7-dihydro-1H-1,4-diazepine-5-carboxylate CAS Name: 3-carbamoyl-2-cyano-7-ethoxy-6,7-dihydro-1H-1,4-diazepine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-carbamoyl-2-cyano-7-ethoxy-6,7-dihydro-1H-1,4-diazepine-5-carboxylate Traditional Name: 3-carbamoyl-2-cyano-7-ethoxy-6,7-dihydro-1H-1,4-diazepine-5-carboxylic acid ethyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(=NC(=C(N1)C#N)C(=O)N)C(=O)OCC

Isomeric SMILES

CCOC1CC(=NC(=C(N1)C#N)C(=O)N)C(=O)OCC

InChI

InChI=1S/C12H16N4O4/c1-3-19-9-5-7(12(18)20-4-2)16-10(11(14)17)8(6-13)15-9/h9,15H,3-5H2,1-2H3,(H2,14,17)