methyl 4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate

Systemtic Name: methyl 4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate Openeye Name: methyl 4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate CAS Name: 4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate Traditional Name: 4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid methyl ester Formula: C7H12N2O2 MolecularWeight: 156.18238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN=CN1

Isomeric SMILES

COC(=O)C1CCCN=CN1

InChI

InChI=1S/C7H12N2O2/c1-11-7(10)6-3-2-4-8-5-9-6/h5-6H,2-4H2,1H3,(H,8,9)