(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-phenyl]-2-cyano-acrylic acid Formula: C13H11ClN2O5 MolecularWeight: 310.68984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)O)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)O)Cl)OCC(=O)N

InChI

InChI=1S/C13H11ClN2O5/c1-20-10-4-7(2-8(5-15)13(18)19)3-9(14)12(10)21-6-11(16)17/h2-4H,6H2,1H3,(H2,16,17)(H,18,19)/b8-2+