6-azanyl-3-(1,3-benzodioxol-5-yl)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-3-(1,3-benzodioxol-5-yl)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C22H17BrN4O5 MolecularWeight: 497.29818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC5=C(C=C4)OCO5)N)C#N)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC5=C(C=C4)OCO5)N)C#N)Br)O

InChI

InChI=1S/C22H17BrN4O5/c1-2-29-16-7-11(5-13(23)20(16)28)17-12(8-24)21(25)32-22-18(17)19(26-27-22)10-3-4-14-15(6-10)31-9-30-14/h3-7,17,28H,2,9,25H2,1H3,(H,26,27)