4-chloranyl-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-chloro-3-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 4-chloro-N-[3-(2-ketoazepan-1-yl)propyl]-3-nitro-benzamide Formula: C16H20ClN3O4 MolecularWeight: 353.8007

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN3O4/c17-13-7-6-12(11-14(13)20(23)24)16(22)18-8-4-10-19-9-3-1-2-5-15(19)21/h6-7,11H,1-5,8-10H2,(H,18,22)