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

Systemtic Name: 2-[4-[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]-2-methoxy-phenyl]acetic acid CAS Name: 2-[4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[4-[(4,6-dimethyl-3-nitropyridin-2-yl)amino]-2-methoxyphenyl]acetic acid Traditional Name: 2-[4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]-2-methoxy-phenyl]acetic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-9-6-10(2)17-16(15(9)19(22)23)18-12-5-4-11(7-14(20)21)13(8-12)24-3/h4-6,8H,7H2,1-3H3,(H,17,18)(H,20,21)