N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-14-3-2-8-23(13-14)17-6-4-15(11-18(17)24(26)27)21(25)22-16-5-7-19-20(12-16)29-10-9-28-19/h4-7,11-12,14H,2-3,8-10,13H2,1H3,(H,22,25)/t14-/m0/s1