2-(azepan-1-yl)-N-(4-ethylphenyl)-5-nitro-benzamide

Systemtic Name: 2-(azepan-1-yl)-N-(4-ethylphenyl)-5-nitro-benzamide Openeye Name: 2-(azepan-1-yl)-N-(4-ethylphenyl)-5-nitro-benzamide CAS Name: 2-(1-azepanyl)-N-(4-ethylphenyl)-5-nitrobenzamide IUPAC Name: 2-(azepan-1-yl)-N-(4-ethylphenyl)-5-nitrobenzamide Traditional Name: 2-(azepan-1-yl)-N-(4-ethylphenyl)-5-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C21H25N3O3/c1-2-16-7-9-17(10-8-16)22-21(25)19-15-18(24(26)27)11-12-20(19)23-13-5-3-4-6-14-23/h7-12,15H,2-6,13-14H2,1H3,(H,22,25)