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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(OC3=C2C4=CC=CC=C4C=C3)N)C#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(OC3=C2C4=CC=CC=C4C=C3)N)C#N)Br)OC

InChI

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