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

Systemtic Name: 2-[4-[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]-2-methyl-phenyl]acetic acid CAS Name: 2-[4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]-2-methylphenyl]acetic acid IUPAC Name: 2-[4-[(4,6-dimethyl-3-nitropyridin-2-yl)amino]-2-methylphenyl]acetic acid Traditional Name: 2-[4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]-2-methyl-phenyl]acetic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-9-7-13(5-4-12(9)8-14(20)21)18-16-15(19(22)23)10(2)6-11(3)17-16/h4-7H,8H2,1-3H3,(H,17,18)(H,20,21)