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

Systemtic Name: 4-[[5,7-bis(iodanyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[(5,7-diiodo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[(5,7-diiodo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(5,7-diiodo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-[(5,7-diiodo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C19H13I2N3O4 MolecularWeight: 601.13316

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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=C3I)I)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3I)I)OCO4)OC

InChI

InChI=1S/C19H13I2N3O4/c1-25-14-3-10-13(5-15(14)26-2)23-7-9(6-22)16(10)24-17-11(20)4-12(21)18-19(17)28-8-27-18/h3-5,7H,8H2,1-2H3,(H,23,24)