4-[(5-chloranyl-7-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[(5-chloranyl-7-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[(5-chloro-7-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[(5-chloro-7-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(5-chloro-7-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-[(5-chloro-7-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C20H13ClN4O4 MolecularWeight: 408.79462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C(C=C(C4=C3OCO4)C#N)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C(C=C(C4=C3OCO4)C#N)Cl)OC

InChI

InChI=1S/C20H13ClN4O4/c1-26-15-4-12-14(5-16(15)27-2)24-8-11(7-23)17(12)25-18-13(21)3-10(6-22)19-20(18)29-9-28-19/h3-5,8H,9H2,1-2H3,(H,24,25)