N-(2-methoxy-5-methyl-phenyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-14-6-9-20(28-3)17(11-14)22-21(25)16-7-8-18(19(12-16)24(26)27)23-10-4-5-15(2)13-23/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,22,25)