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

Systemtic Name: 3-[4-[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]phenyl]propanoic acid Openeye Name: 3-[4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(4,6-dimethyl-3-nitropyridin-2-yl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]phenyl]propionic 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)CCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-10-9-11(2)17-16(15(10)19(22)23)18-13-6-3-12(4-7-13)5-8-14(20)21/h3-4,6-7,9H,5,8H2,1-2H3,(H,17,18)(H,20,21)