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

Systemtic Name: 4-[(5-iodanyl-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[(5-iodo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[(5-iodo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(5-iodo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-[(5-iodo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C19H14IN3O4 MolecularWeight: 475.23663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C(C=CC4=C3OCO4)I)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C(C=CC4=C3OCO4)I)OC

InChI

InChI=1S/C19H14IN3O4/c1-24-15-5-11-13(6-16(15)25-2)22-8-10(7-21)17(11)23-18-12(20)3-4-14-19(18)27-9-26-14/h3-6,8H,9H2,1-2H3,(H,22,23)