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

Systemtic Name: 4-azanyl-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitro-benzamide Openeye Name: 4-amino-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-2-ethoxy-5-nitro-benzamide CAS Name: 4-amino-N-[1-(1-cyclohexa-1,3-dienylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide IUPAC Name: 4-amino-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide Traditional Name: 4-amino-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-2-ethoxy-5-nitro-benzamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CCC3)[N+](=O)[O-])N

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CCC3)[N+](=O)[O-])N

InChI

InChI=1S/C21H28N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,6,12-13,16H,2,5,7-11,14,22H2,1H3,(H,23,26)