N-[(3-methoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-[(3-methoxyphenyl)methyl]-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-[(3-methoxyphenyl)methyl]-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-m-anisyl-4-[(3S)-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)NCC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-15-5-4-10-23(14-15)19-9-8-17(12-20(19)24(26)27)21(25)22-13-16-6-3-7-18(11-16)28-2/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1