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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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