3-azanyl-1-(5-bromanyl-2,4-dimethoxy-phenyl)-1H-benzo[f]chromene-2-carbonitrile

Systemtic Name: 3-azanyl-1-(5-bromanyl-2,4-dimethoxy-phenyl)-1H-benzo[f]chromene-2-carbonitrile Openeye Name: 3-amino-1-(5-bromo-2,4-dimethoxy-phenyl)-1H-benzo[f]chromene-2-carbonitrile CAS Name: 3-amino-1-(5-bromo-2,4-dimethoxyphenyl)-1H-benzo[f][1]benzopyran-2-carbonitrile IUPAC Name: 3-amino-1-(5-bromo-2,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile Traditional Name: 3-amino-1-(5-bromo-2,4-dimethoxy-phenyl)-1H-benzo[f]chromene-2-carbonitrile Formula: C22H17BrN2O3 MolecularWeight: 437.28598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2C(=C(OC3=C2C4=CC=CC=C4C=C3)N)C#N)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2C(=C(OC3=C2C4=CC=CC=C4C=C3)N)C#N)Br)OC

InChI

InChI=1S/C22H17BrN2O3/c1-26-18-10-19(27-2)16(23)9-14(18)20-15(11-24)22(25)28-17-8-7-12-5-3-4-6-13(12)21(17)20/h3-10,20H,25H2,1-2H3