1-(2-methoxyethyl)-2,6-dimethyl-4-(3-nitro-2-propan-2-yl-phenyl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 1-(2-methoxyethyl)-2,6-dimethyl-4-(3-nitro-2-propan-2-yl-phenyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-isopropyl-3-nitro-phenyl)-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 1-(2-methoxyethyl)-2,6-dimethyl-4-(3-nitro-2-propan-2-ylphenyl)-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 1-(2-methoxyethyl)-2,6-dimethyl-4-(3-nitro-2-propan-2-ylphenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-isopropyl-3-nitro-phenyl)-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1CCOC)C)C(=O)O)C2=C(C(=CC=C2)[N+](=O)[O-])C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1CCOC)C)C(=O)O)C2=C(C(=CC=C2)[N+](=O)[O-])C(C)C)C(=O)O

InChI

InChI=1S/C21H26N2O7/c1-11(2)16-14(7-6-8-15(16)23(28)29)19-17(20(24)25)12(3)22(9-10-30-5)13(4)18(19)21(26)27/h6-8,11,19H,9-10H2,1-5H3,(H,24,25)(H,26,27)