2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-pyrrol-1-yl-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-pyrrol-1-yl-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-pyrrol-1-yl-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-(1-pyrrolyl)-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-pyrrol-1-yl-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-pyrrol-1-yl-4H-chromene-3-carbonitrile Formula: C22H18BrN3O3 MolecularWeight: 452.30062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C=C(C=C3)N4C=CC=C4)OC(=C2C#N)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C=C(C=C3)N4C=CC=C4)OC(=C2C#N)N)Br)OC

InChI

InChI=1S/C22H18BrN3O3/c1-27-19-10-13(9-17(23)21(19)28-2)20-15-6-5-14(26-7-3-4-8-26)11-18(15)29-22(25)16(20)12-24/h3-11,20H,25H2,1-2H3