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

Systemtic Name: 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]-2-ethyl-pent-4-enoic acid Openeye Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]-2-ethyl-pent-4-enoic acid CAS Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridinyl]-2-ethyl-4-pentenoic acid IUPAC Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyanopyridin-2-yl]-2-ethylpent-4-enoic acid Traditional Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]-2-ethyl-pent-4-enoic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4/c1-3-7-21(4-2,20(26)27)18-13(9-22)17(14(10-23)19(24)25-18)12-5-6-15-16(8-12)29-11-28-15/h3,5-6,8H,1,4,7,11H2,2H3,(H2,24,25)(H,26,27)