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

Systemtic Name: 2-cyano-6-methyl-4-(3-nitrophenyl)-5-(2-oxidanylpropoxycarbonyl)pyridine-3-carboxylic acid Openeye Name: 2-cyano-5-(2-hydroxypropoxycarbonyl)-6-methyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 2-cyano-5-[2-hydroxypropoxy(oxo)methyl]-6-methyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid IUPAC Name: 2-cyano-5-(2-hydroxypropoxycarbonyl)-6-methyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid Traditional Name: 2-cyano-5-(2-hydroxypropoxycarbonyl)-6-methyl-4-(3-nitrophenyl)nicotinic acid Formula: C18H15N3O7 MolecularWeight: 385.3276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O7/c1-9(22)8-28-18(25)14-10(2)20-13(7-19)16(17(23)24)15(14)11-4-3-5-12(6-11)21(26)27/h3-6,9,22H,8H2,1-2H3,(H,23,24)