(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(phenylmethyl)piperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(phenylmethyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzyl-1-piperidyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(phenylmethyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperidin-1-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperidino)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O5/c26-22(24-10-8-18(9-11-24)12-17-4-2-1-3-5-17)7-6-19-13-21(25(27)28)14-20-15-29-16-30-23(19)20/h1-7,13-14,18H,8-12,15-16H2/b7-6+