(E)-3-[4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-3-cyano-quinolin-7-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-3-cyano-quinolin-7-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-cyano-4-(2,4-dichloro-5-methoxy-anilino)-7-quinolyl]prop-2-enoic acid CAS Name: (E)-3-[3-cyano-4-(2,4-dichloro-5-methoxyanilino)-7-quinolinyl]-2-propenoic acid IUPAC Name: (E)-3-[3-cyano-4-(2,4-dichloro-5-methoxyanilino)quinolin-7-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-cyano-4-(2,4-dichloro-5-methoxy-anilino)-7-quinolyl]acrylic acid Formula: C20H13Cl2N3O3 MolecularWeight: 414.24152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C=CC(=O)O)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)/C=C/C(=O)O)Cl)Cl

InChI

InChI=1S/C20H13Cl2N3O3/c1-28-18-8-17(14(21)7-15(18)22)25-20-12(9-23)10-24-16-6-11(2-4-13(16)20)3-5-19(26)27/h2-8,10H,1H3,(H,24,25)(H,26,27)/b5-3+