N-(3-ethylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-ethylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(3-ethylphenyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(3-ethylphenyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(3-ethylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(3-ethylphenyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-3-16-5-4-6-18(13-16)22-21(25)17-7-8-19(20(14-17)24(26)27)23-11-9-15(2)10-12-23/h4-8,13-15H,3,9-12H2,1-2H3,(H,22,25)