2-[(E)-3-(4-cyanophenyl)-2-methyl-prop-2-enylidene]propanedioic acid

Systemtic Name: 2-[(E)-3-(4-cyanophenyl)-2-methyl-prop-2-enylidene]propanedioic acid Openeye Name: 2-[(E)-3-(4-cyanophenyl)-2-methyl-prop-2-enylidene]propanedioic acid CAS Name: 2-[(E)-3-(4-cyanophenyl)-2-methylprop-2-enylidene]propanedioic acid IUPAC Name: 2-[(E)-3-(4-cyanophenyl)-2-methylprop-2-enylidene]propanedioic acid Traditional Name: 2-[(E)-3-(4-cyanophenyl)-2-methyl-prop-2-enylidene]malonic acid Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C#N)C=C(C(=O)O)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)C#N)/C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C14H11NO4/c1-9(7-12(13(16)17)14(18)19)6-10-2-4-11(8-15)5-3-10/h2-7H,1H3,(H,16,17)(H,18,19)/b9-6+