8-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxylic acid Openeye Name: 8-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxylic acid CAS Name: 8-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carboxylic acid Traditional Name: 8-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carboxylic acid Formula: C19H13Cl2N3O3 MolecularWeight: 402.23082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=NC=C2C(=O)O)Cl)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=NC=C2C(=O)O)Cl)C#N)Cl

InChI

InChI=1S/C19H13Cl2N3O3/c1-27-16-3-2-10(5-14(16)20)8-23-17-12-4-11(7-22)6-15(21)18(12)24-9-13(17)19(25)26/h2-6,9H,8H2,1H3,(H,23,24)(H,25,26)