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

Systemtic Name: 6-azanyl-3-(1,3-benzodioxol-5-yl)-4-(3-methoxy-4-oxidanyl-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-3-(1,3-benzodioxol-5-yl)-4-(4-hydroxy-3-methoxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-3-(1,3-benzodioxol-5-yl)-4-(4-hydroxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-3-(1,3-benzodioxol-5-yl)-4-(4-hydroxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-3-(1,3-benzodioxol-5-yl)-4-(4-hydroxy-3-methoxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H16N4O5 MolecularWeight: 404.37554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC5=C(C=C4)OCO5)N)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC5=C(C=C4)OCO5)N)C#N)O

InChI

InChI=1S/C21H16N4O5/c1-27-15-6-10(2-4-13(15)26)17-12(8-22)20(23)30-21-18(17)19(24-25-21)11-3-5-14-16(7-11)29-9-28-14/h2-7,17,26H,9,23H2,1H3,(H,24,25)