(E)-3-[7-[(3-cyano-6,7-dimethoxy-quinolin-4-yl)amino]-1,3-benzodioxol-4-yl]prop-2-enoate

Systemtic Name: (E)-3-[7-[(3-cyano-6,7-dimethoxy-quinolin-4-yl)amino]-1,3-benzodioxol-4-yl]prop-2-enoate Openeye Name: (E)-3-[7-[(3-cyano-6,7-dimethoxy-4-quinolyl)amino]-1,3-benzodioxol-4-yl]prop-2-enoate CAS Name: (E)-3-[7-[(3-cyano-6,7-dimethoxy-4-quinolinyl)amino]-1,3-benzodioxol-4-yl]-2-propenoate IUPAC Name: (E)-3-[7-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]-1,3-benzodioxol-4-yl]prop-2-enoate Traditional Name: (E)-3-[7-[(3-cyano-6,7-dimethoxy-4-quinolyl)amino]-1,3-benzodioxol-4-yl]acrylate Formula: C22H16N3O6- MolecularWeight: 418.37894

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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=C3)C=CC(=O)[O-])OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)/C=C/C(=O)[O-])OCO4)OC

InChI

InChI=1S/C22H17N3O6/c1-28-17-7-14-16(8-18(17)29-2)24-10-13(9-23)20(14)25-15-5-3-12(4-6-19(26)27)21-22(15)31-11-30-21/h3-8,10H,11H2,1-2H3,(H,24,25)(H,26,27)/p-1/b6-4+