(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)phenyl]-2-cyano-acrylic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)O)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4/c13-6-9(12(16)17)5-8-1-3-10(4-2-8)18-7-11(14)15/h1-5H,7H2,(H2,14,15)(H,16,17)/b9-5+