6-cyano-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid

Systemtic Name: 6-cyano-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid Openeye Name: 6-cyano-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 6-cyano-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid IUPAC Name: 6-cyano-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-6-cyano-2-methyl-4-(3-nitrophenyl)nicotinic acid Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C#N

Isomeric SMILES

CC1=NC(=C(C(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C#N

InChI

InChI=1S/C16H11N3O6/c1-8-12(15(20)21)13(9-4-3-5-10(6-9)19(23)24)14(16(22)25-2)11(7-17)18-8/h3-6H,1-2H3,(H,20,21)