2-[(3,5-dinitropyridin-2-yl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3,5-dinitropyridin-2-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3,5-dinitro-2-pyridyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3,5-dinitro-2-pyridinyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3,5-dinitropyridin-2-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3,5-dinitro-2-pyridyl)amino]-3-phenyl-propionic acid Formula: C14H12N4O6 MolecularWeight: 332.26828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O6/c19-14(20)11(6-9-4-2-1-3-5-9)16-13-12(18(23)24)7-10(8-15-13)17(21)22/h1-5,7-8,11H,6H2,(H,15,16)(H,19,20)