2-[4-(4-azanyl-3-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(4-azanyl-3-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(4-amino-3-nitro-benzoyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(4-amino-3-nitrophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(4-amino-3-nitrobenzoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(4-amino-3-nitro-benzoyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4/c1-18(2)15(22)11-19-6-3-7-20(9-8-19)16(23)12-4-5-13(17)14(10-12)21(24)25/h4-5,10H,3,6-9,11,17H2,1-2H3