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

Systemtic Name: N-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(azepan-1-yl)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(1-azepanyl)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(azepan-1-yl)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(azepan-1-yl)-3-keto-propyl]-4-nitro-benzamide Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c20-15(18-11-3-1-2-4-12-18)9-10-17-16(21)13-5-7-14(8-6-13)19(22)23/h5-8H,1-4,9-12H2,(H,17,21)