N-(2-ethoxyphenyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-ethoxyphenyl)-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(2-ethoxyphenyl)-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(2-ethoxyphenyl)-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: 4-(3-methylpiperidino)-3-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=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-3-28-20-9-5-4-8-17(20)22-21(25)16-10-11-18(19(13-16)24(26)27)23-12-6-7-15(2)14-23/h4-5,8-11,13,15H,3,6-7,12,14H2,1-2H3,(H,22,25)