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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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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)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4/c1-13-4-3-9-23(12-13)17-7-5-14(10-18(17)24(26)27)20(25)22-16-11-15(21)6-8-19(16)28-2/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,22,25)