N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C12H16N4O3 MolecularWeight: 264.28044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3/c17-12(15-7-2-5-13-6-8-15)14-10-3-1-4-11(9-10)16(18)19/h1,3-4,9,13H,2,5-8H2,(H,14,17)