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

Systemtic Name: 6-azanyl-3,4-bis(1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-3,4-bis(1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-3,4-bis(1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-3,4-bis(1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-3,4-bis(1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H14N4O5 MolecularWeight: 402.35966

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(=C(OC4=NNC(=C34)C5=CC6=C(C=C5)OCO6)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C(=C(OC4=NNC(=C34)C5=CC6=C(C=C5)OCO6)N)C#N

InChI

InChI=1S/C21H14N4O5/c22-7-12-17(10-1-3-13-15(5-10)28-8-26-13)18-19(24-25-21(18)30-20(12)23)11-2-4-14-16(6-11)29-9-27-14/h1-6,17H,8-9,23H2,(H,24,25)