methyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-acrylic acid methyl ester Formula: C12H8ClNO4 MolecularWeight: 265.64922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC2=C(C(=C1)Cl)OCO2)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC2=C(C(=C1)Cl)OCO2)/C#N

InChI

InChI=1S/C12H8ClNO4/c1-16-12(15)8(5-14)2-7-3-9(13)11-10(4-7)17-6-18-11/h2-4H,6H2,1H3/b8-2+