2-[5-(carboxymethyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[5-(carboxymethyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridin-3-yl]ethanoic acid Openeye Name: 2-[5-(carboxymethyl)-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridyl]acetic acid CAS Name: 2-[5-(carboxymethyl)-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridinyl]acetic acid IUPAC Name: 2-[5-(carboxymethyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridin-3-yl]acetic acid Traditional Name: 2-[5-(carboxymethyl)-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridyl]acetic acid Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-9-12(7-15(20)21)17(13(8-16(22)23)10(2)18-9)11-5-3-4-6-14(11)19(24)25/h3-6H,7-8H2,1-2H3,(H,20,21)(H,22,23)