6-ethyl-2-methyl-4-(4-nitrophenyl)-5-phenylmethoxycarbonyl-pyridine-3-carboxylic acid

Systemtic Name: 6-ethyl-2-methyl-4-(4-nitrophenyl)-5-phenylmethoxycarbonyl-pyridine-3-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-6-ethyl-2-methyl-4-(4-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 6-ethyl-2-methyl-4-(4-nitrophenyl)-5-phenylmethoxycarbonyl-3-pyridinecarboxylic acid IUPAC Name: 6-ethyl-2-methyl-4-(4-nitrophenyl)-5-phenylmethoxycarbonylpyridine-3-carboxylic acid Traditional Name: 5-carbobenzoxy-6-ethyl-2-methyl-4-(4-nitrophenyl)nicotinic acid Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O6/c1-3-18-21(23(28)31-13-15-7-5-4-6-8-15)20(19(22(26)27)14(2)24-18)16-9-11-17(12-10-16)25(29)30/h4-12H,3,13H2,1-2H3,(H,26,27)