6-azanyl-8-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

Systemtic Name: 6-azanyl-8-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile Openeye Name: 8-(4-allyloxy-3-bromo-5-methoxy-phenyl)-6-amino-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile CAS Name: 6-amino-8-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile IUPAC Name: 6-amino-8-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile Traditional Name: 8-(4-allyloxy-3-bromo-5-methoxy-phenyl)-6-amino-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4)Br)OCC=C

InChI

InChI=1S/C21H17BrN2O5/c1-3-4-26-20-14(22)5-11(6-18(20)25-2)19-12-7-16-17(28-10-27-16)8-15(12)29-21(24)13(19)9-23/h3,5-8,19H,1,4,10,24H2,2H3