2-(azepan-1-yl)-N-(2-ethoxyphenyl)-5-nitro-benzamide

Systemtic Name: 2-(azepan-1-yl)-N-(2-ethoxyphenyl)-5-nitro-benzamide Openeye Name: 2-(azepan-1-yl)-N-(2-ethoxyphenyl)-5-nitro-benzamide CAS Name: 2-(1-azepanyl)-N-(2-ethoxyphenyl)-5-nitrobenzamide IUPAC Name: 2-(azepan-1-yl)-N-(2-ethoxyphenyl)-5-nitrobenzamide Traditional Name: 2-(azepan-1-yl)-5-nitro-N-o-phenetyl-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C21H25N3O4/c1-2-28-20-10-6-5-9-18(20)22-21(25)17-15-16(24(26)27)11-12-19(17)23-13-7-3-4-8-14-23/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,22,25)