1-(2-imidazol-1-ylethyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 1-(2-imidazol-1-ylethyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 1-(2-imidazol-1-ylethyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 1-[2-(1-imidazolyl)ethyl]-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 1-(2-imidazol-1-ylethyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 1-(2-imidazol-1-ylethyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=CN1CCN2C=CN=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=CN1CCN2C=CN=C2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H18N4O6/c1-12-16(19(26)27)17(13-3-2-4-14(9-13)23(28)29)15(18(24)25)10-22(12)8-7-21-6-5-20-11-21/h2-6,9-11,17H,7-8H2,1H3,(H,24,25)(H,26,27)