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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-3-nitro-benzamide CAS Name: N-[3-(1-azepanyl)propyl]-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-3-nitro-benzamide Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c20-16(14-7-5-8-15(13-14)19(21)22)17-9-6-12-18-10-3-1-2-4-11-18/h5,7-8,13H,1-4,6,9-12H2,(H,17,20)