2-azanyl-4-(3-bromanyl-5-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-4-prop-2-ynoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br)OCC#C

InChI

InChI=1S/C23H23BrN2O4/c1-5-7-29-21-15(24)8-13(9-17(21)28-6-2)19-14(12-25)22(26)30-18-11-23(3,4)10-16(27)20(18)19/h1,8-9,19H,6-7,10-11,26H2,2-4H3