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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carboxylic acid Formula: C19H14ClN3O3 MolecularWeight: 367.78576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)O)C#N)Cl

InChI

InChI=1S/C19H14ClN3O3/c1-26-17-5-3-12(7-15(17)20)9-23-18-13-6-11(8-21)2-4-16(13)22-10-14(18)19(24)25/h2-7,10H,9H2,1H3,(H,22,23)(H,24,25)