2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]butanoic acid

Systemtic Name: 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]butanoic acid Openeye Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]butanoic acid CAS Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridinyl]butanoic acid IUPAC Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyanopyridin-2-yl]butanoic acid Traditional Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]butyric acid Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N)C(=O)O

Isomeric SMILES

CCC(C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N)C(=O)O

InChI

InChI=1S/C18H14N4O4/c1-2-10(18(23)24)16-11(6-19)15(12(7-20)17(21)22-16)9-3-4-13-14(5-9)26-8-25-13/h3-5,10H,2,8H2,1H3,(H2,21,22)(H,23,24)