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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-chloro-3-nitro-benzamide Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H22ClN3O3/c17-14-7-6-13(12-15(14)20(22)23)16(21)18-8-5-11-19-9-3-1-2-4-10-19/h6-7,12H,1-5,8-11H2,(H,18,21)