(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CC3=C(C(=C2)OC)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC3=C(C(=C2)OC)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO6/c1-11-3-5-13(9-14(11)19(21)22)15(20)6-4-12-7-16(23-2)18-17(8-12)24-10-25-18/h3-9H,10H2,1-2H3/b6-4+