2-azanyl-3-phenyl-propanoic acid; 2,4,6-trinitrophenol

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 2,4,6-trinitrophenol Openeye Name: 2-amino-3-phenyl-propanoic acid; picric acid CAS Name: 2-amino-3-phenylpropanoic acid; 2,4,6-trinitrophenol IUPAC Name: 2-amino-3-phenylpropanoic acid; 2,4,6-trinitrophenol Traditional Name: 2-amino-3-phenyl-propionic acid; picric acid Formula: C15H14N4O9 MolecularWeight: 394.29306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C6H3N3O7/c10-8(9(11)12)6-7-4-2-1-3-5-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5,8H,6,10H2,(H,11,12);1-2,10H