propan-2-yl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate

Systemtic Name: propan-2-yl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate Openeye Name: isopropyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate CAS Name: 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate Traditional Name: 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid isopropyl ester Formula: C9H16N4O4 MolecularWeight: 244.24774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCCN=C(N1)N[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1CCCN=C(N1)N[N+](=O)[O-]

InChI

InChI=1S/C9H16N4O4/c1-6(2)17-8(14)7-4-3-5-10-9(11-7)12-13(15)16/h6-7H,3-5H2,1-2H3,(H2,10,11,12)