2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-pyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-pyridine-3-carboxylic acid Openeye Name: 5-isopropoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[oxo(propan-2-yloxy)methyl]-3-pyridinecarboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonylpyridine-3-carboxylic acid Traditional Name: 5-isopropoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C18H18N2O6/c1-9(2)26-18(23)15-11(4)19-10(3)14(17(21)22)16(15)12-6-5-7-13(8-12)20(24)25/h5-9H,1-4H3,(H,21,22)