4-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-(3,5-dibromo-4-hydroxy-anilino)-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-(3,5-dibromo-4-hydroxyanilino)-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-(3,5-dibromo-4-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-(3,5-dibromo-4-hydroxy-anilino)-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C18H13Br2N3O3 MolecularWeight: 479.12212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C(=C3)Br)O)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C(=C3)Br)O)Br)OC

InChI

InChI=1S/C18H13Br2N3O3/c1-25-15-5-11-14(6-16(15)26-2)22-8-9(7-21)17(11)23-10-3-12(19)18(24)13(20)4-10/h3-6,8,24H,1-2H3,(H,22,23)