N-(2-ethyl-6-methyl-phenyl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-3-nitro-4-piperidino-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

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