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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3/c17-12(15-8-1-6-13-7-9-15)14-10-2-4-11(5-3-10)16(18)19/h2-5,13H,1,6-9H2,(H,14,17)