2-azanyl-5-(6-chloranyl-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-5-(6-chloranyl-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-methyl-pyridine-3-carbonitrile Openeye Name: 2-amino-5-(6-chloro-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-methyl-pyridine-3-carbonitrile CAS Name: 2-amino-5-(6-chloro-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-methyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-(6-chloro-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-methylpyridine-3-carbonitrile Traditional Name: 2-amino-5-(6-chloro-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-methyl-nicotinonitrile Formula: C16H14ClN3O2 MolecularWeight: 315.75426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1C2=CC(=CC3=C2OC(O3)(C)C)Cl)N)C#N

Isomeric SMILES

CC1=C(C(=NC=C1C2=CC(=CC3=C2OC(O3)(C)C)Cl)N)C#N

InChI

InChI=1S/C16H14ClN3O2/c1-8-11(6-18)15(19)20-7-12(8)10-4-9(17)5-13-14(10)22-16(2,3)21-13/h4-5,7H,1-3H3,(H2,19,20)