[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO7/c1-13-2-5-15(11-16(13)21(24)25)17(22)12-28-20(23)7-4-14-3-6-18-19(10-14)27-9-8-26-18/h2-7,10-11H,8-9,12H2,1H3/b7-4+