(E,4E)-4-[(7-nitro-1,3-benzodioxol-5-yl)methylidene]-1-piperidin-1-yl-hex-2-en-1-one

Systemtic Name: (E,4E)-4-[(7-nitro-1,3-benzodioxol-5-yl)methylidene]-1-piperidin-1-yl-hex-2-en-1-one Openeye Name: (E,4E)-4-[(7-nitro-1,3-benzodioxol-5-yl)methylene]-1-(1-piperidyl)hex-2-en-1-one CAS Name: (E,4E)-4-[(7-nitro-1,3-benzodioxol-5-yl)methylidene]-1-(1-piperidinyl)-2-hexen-1-one IUPAC Name: (E,4E)-4-[(7-nitro-1,3-benzodioxol-5-yl)methylidene]-1-piperidin-1-ylhex-2-en-1-one Traditional Name: (2E,4E)-4-ethyl-5-(7-nitro-1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC(=C2C(=C1)OCO2)[N+](=O)[O-])C=CC(=O)N3CCCCC3

Isomeric SMILES

CC/C(=C\C1=CC(=C2C(=C1)OCO2)[N+](=O)[O-])/C=C/C(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O5/c1-2-14(6-7-18(22)20-8-4-3-5-9-20)10-15-11-16(21(23)24)19-17(12-15)25-13-26-19/h6-7,10-12H,2-5,8-9,13H2,1H3/b7-6+,14-10+