(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO5/c1-12-2-5-14(11-15(12)19(21)22)16(20)6-3-13-4-7-17-18(10-13)24-9-8-23-17/h2-7,10-11H,8-9H2,1H3/b6-3+