4-(azepan-1-yl)-N-(4-ethoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(4-ethoxyphenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(4-ethoxyphenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(4-ethoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(4-ethoxyphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-p-phenetyl-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-2-28-18-10-8-17(9-11-18)22-21(25)16-7-12-19(20(15-16)24(26)27)23-13-5-3-4-6-14-23/h7-12,15H,2-6,13-14H2,1H3,(H,22,25)