(2E,4E)-5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one

Systemtic Name: (2E,4E)-5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one Openeye Name: (2E,4E)-5-(6-nitro-1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one CAS Name: (2E,4E)-5-(6-nitro-1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-1-penta-2,4-dienone IUPAC Name: (2E,4E)-5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one Traditional Name: (2E,4E)-5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one Formula: C17H18N2O5 MolecularWeight: 330.33522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H18N2O5/c20-17(18-8-4-1-5-9-18)7-3-2-6-13-10-15-16(24-12-23-15)11-14(13)19(21)22/h2-3,6-7,10-11H,1,4-5,8-9,12H2/b6-2+,7-3+