2-[4-(4-chloranyl-2-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-(4-chloro-2-nitro-benzoyl)-1,4-diazepan-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[(4-chloro-2-nitrophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide IUPAC Name: 2-[4-(4-chloro-2-nitrobenzoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(4-chloro-2-nitro-benzoyl)-1,4-diazepan-1-yl]-N,N-diethyl-acetamide Formula: C18H25ClN4O4 MolecularWeight: 396.8685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O4/c1-3-21(4-2)17(24)13-20-8-5-9-22(11-10-20)18(25)15-7-6-14(19)12-16(15)23(26)27/h6-7,12H,3-5,8-11,13H2,1-2H3