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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC(=CC=C4)Br

InChI

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