2-[2-chloranyl-4-[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[2-chloranyl-4-[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[2-chloro-4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]phenyl]acetic acid CAS Name: 2-[2-chloro-4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]phenyl]acetic acid IUPAC Name: 2-[2-chloro-4-[(4,6-dimethyl-3-nitropyridin-2-yl)amino]phenyl]acetic acid Traditional Name: 2-[2-chloro-4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]phenyl]acetic acid Formula: C15H14ClN3O4 MolecularWeight: 335.74236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)CC(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)CC(=O)O)Cl)C

InChI

InChI=1S/C15H14ClN3O4/c1-8-5-9(2)17-15(14(8)19(22)23)18-11-4-3-10(6-13(20)21)12(16)7-11/h3-5,7H,6H2,1-2H3,(H,17,18)(H,20,21)