(E)-3-[4-(2-chloroethyloxy)-5-methoxy-2-nitro-phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-chloroethyloxy)-5-methoxy-2-nitro-phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[4-(2-chloroethoxy)-5-methoxy-2-nitro-phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[4-(2-chloroethoxy)-5-methoxy-2-nitrophenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[4-(2-chloroethoxy)-5-methoxy-2-nitrophenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[4-(2-chloroethoxy)-5-methoxy-2-nitro-phenyl]-2-cyano-acrylic acid Formula: C13H11ClN2O6 MolecularWeight: 326.68924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)O)[N+](=O)[O-])OCCCl

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)O)[N+](=O)[O-])OCCCl

InChI

InChI=1S/C13H11ClN2O6/c1-21-11-5-8(4-9(7-15)13(17)18)10(16(19)20)6-12(11)22-3-2-14/h4-6H,2-3H2,1H3,(H,17,18)/b9-4+