4-[(2-chloranyl-5-methoxy-phenyl)amino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[(2-chloranyl-5-methoxy-phenyl)amino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile Openeye Name: 4-(2-chloro-5-methoxy-anilino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile CAS Name: 4-(2-chloro-5-methoxyanilino)-6-methoxy-7-(2-methoxyethoxy)-3-quinolinecarbonitrile IUPAC Name: 4-(2-chloro-5-methoxyanilino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile Traditional Name: 4-(2-chloro-5-methoxy-anilino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C=CC(=C3)OC)Cl)C#N)OC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C=CC(=C3)OC)Cl)C#N)OC

InChI

InChI=1S/C21H20ClN3O4/c1-26-6-7-29-20-10-17-15(9-19(20)28-3)21(13(11-23)12-24-17)25-18-8-14(27-2)4-5-16(18)22/h4-5,8-10,12H,6-7H2,1-3H3,(H,24,25)