7-[(3-cyano-6,7-dimethoxy-quinolin-4-yl)amino]-1,3-benzodioxole-4,6-dicarbonitrile

Systemtic Name: 7-[(3-cyano-6,7-dimethoxy-quinolin-4-yl)amino]-1,3-benzodioxole-4,6-dicarbonitrile Openeye Name: 7-[(3-cyano-6,7-dimethoxy-4-quinolyl)amino]-1,3-benzodioxole-4,6-dicarbonitrile CAS Name: 7-[(3-cyano-6,7-dimethoxy-4-quinolinyl)amino]-1,3-benzodioxole-4,6-dicarbonitrile IUPAC Name: 7-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]-1,3-benzodioxole-4,6-dicarbonitrile Traditional Name: 7-[(3-cyano-6,7-dimethoxy-4-quinolyl)amino]-1,3-benzodioxole-4,6-dicarbonitrile Formula: C21H13N5O4 MolecularWeight: 399.35902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3C#N)C#N)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3C#N)C#N)OCO4)OC

InChI

InChI=1S/C21H13N5O4/c1-27-16-4-14-15(5-17(16)28-2)25-9-13(8-24)18(14)26-19-11(6-22)3-12(7-23)20-21(19)30-10-29-20/h3-5,9H,10H2,1-2H3,(H,25,26)