2-azanyl-4-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-5-methoxy-4-propargyloxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C22H21BrN2O4 MolecularWeight: 457.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Br)OCC#C)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Br)OCC#C)OC)C(=O)C1)C

InChI

InChI=1S/C22H21BrN2O4/c1-5-6-28-20-14(23)7-12(8-16(20)27-4)18-13(11-24)21(25)29-17-10-22(2,3)9-15(26)19(17)18/h1,7-8,18H,6,9-10,25H2,2-4H3