N-(3-chloranyl-4-methoxy-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(3-chloro-4-methoxyphenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-4-[(3S)-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=CC(=C(C=C3)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl)[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)22-15-6-8-19(28-2)16(21)11-15/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,22,25)/t13-/m0/s1