(E)-1-(1,3-benzodioxol-5-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[4-(dimethylamino)-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-en-1-one Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-19(2)14-6-3-12(9-15(14)20(22)23)4-7-16(21)13-5-8-17-18(10-13)25-11-24-17/h3-10H,11H2,1-2H3/b7-4+