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

Systemtic Name: 2-azanyl-4-[3-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-4-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-bromo-2-chloro-phenoxy)methyl]-4-methoxy-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-bromo-2-chloro-phenoxy)methyl]-4-methoxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C24H20BrClN2O4 MolecularWeight: 515.7836

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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=C(C=C(C=C4)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrClN2O4/c1-30-19-7-5-13(9-14(19)12-31-20-8-6-15(25)10-17(20)26)22-16(11-27)24(28)32-21-4-2-3-18(29)23(21)22/h5-10,22H,2-4,12,28H2,1H3