2-azanyl-4-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C24H21BrN2O4 MolecularWeight: 481.33854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=CC=C4Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=CC=C4Br

InChI

InChI=1S/C24H21BrN2O4/c1-29-19-10-9-14(11-15(19)13-30-20-7-3-2-5-17(20)25)22-16(12-26)24(27)31-21-8-4-6-18(28)23(21)22/h2-3,5,7,9-11,22H,4,6,8,13,27H2,1H3