4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-(2-bromo-3,4,5-trimethoxy-anilino)-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-(2-bromo-3,4,5-trimethoxyanilino)-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-(2-bromo-3,4,5-trimethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-(2-bromo-3,4,5-trimethoxy-anilino)-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C21H20BrN3O5 MolecularWeight: 474.3046

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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(=C3Br)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C(=C3Br)OC)OC)OC)OC

InChI

InChI=1S/C21H20BrN3O5/c1-26-15-6-12-13(7-16(15)27-2)24-10-11(9-23)19(12)25-14-8-17(28-3)20(29-4)21(30-5)18(14)22/h6-8,10H,1-5H3,(H,24,25)