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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCC3=CC=CCC3)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCC3=CC=CCC3)[N+](=O)[O-])N

InChI

InChI=1S/C21H28N4O4/c1-29-20-14-18(22)19(25(27)28)13-17(20)21(26)23-16-8-11-24(12-9-16)10-7-15-5-3-2-4-6-15/h2-3,5,13-14,16H,4,6-12,22H2,1H3,(H,23,26)