methyl 6-azanyl-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: methyl 6-azanyl-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: methyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-nicotinic acid methyl ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H13N3O4/c1-8-13(16(20)21-2)14(10(6-17)15(18)19-8)9-3-4-11-12(5-9)23-7-22-11/h3-5H,7H2,1-2H3,(H2,18,19)