4-acetamido-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-5-nitro-2-oxidanyl-benzamide

Systemtic Name: 4-acetamido-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-5-nitro-2-oxidanyl-benzamide Openeye Name: 4-acetamido-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-2-hydroxy-5-nitro-benzamide CAS Name: 4-acetamido-N-[1-(1-cyclohexa-1,3-dienylmethyl)-4-piperidinyl]-2-hydroxy-5-nitrobenzamide IUPAC Name: 4-acetamido-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-hydroxy-5-nitrobenzamide Traditional Name: 4-acetamido-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-2-hydroxy-5-nitro-benzamide Formula: C21H26N4O5 MolecularWeight: 414.45494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)O)C(=O)NC2CCN(CC2)CC3=CC=CCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)O)C(=O)NC2CCN(CC2)CC3=CC=CCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5/c1-14(26)22-18-12-20(27)17(11-19(18)25(29)30)21(28)23-16-7-9-24(10-8-16)13-15-5-3-2-4-6-15/h2-3,5,11-12,16,27H,4,6-10,13H2,1H3,(H,22,26)(H,23,28)