(E)-1-(4-methylpiperidin-1-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylpiperidin-1-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-methyl-1-piperidyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one CAS Name: (E)-1-(4-methyl-1-piperidinyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propen-1-one IUPAC Name: (E)-1-(4-methylpiperidin-1-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-methylpiperidino)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5/c1-12-4-6-18(7-5-12)16(20)3-2-13-8-15(19(21)22)9-14-10-23-11-24-17(13)14/h2-3,8-9,12H,4-7,10-11H2,1H3/b3-2+