2-azanyl-3-[4-(2,4-dinitrophenoxy)phenyl]propanoic acid hydrate

Systemtic Name: 2-azanyl-3-[4-(2,4-dinitrophenoxy)phenyl]propanoic acid hydrate Openeye Name: 2-amino-3-[4-(2,4-dinitrophenoxy)phenyl]propanoic acid hydrate CAS Name: 2-amino-3-[4-(2,4-dinitrophenoxy)phenyl]propanoic acid hydrate IUPAC Name: 2-amino-3-[4-(2,4-dinitrophenoxy)phenyl]propanoic acid hydrate Traditional Name: 2-amino-3-[4-(2,4-dinitrophenoxy)phenyl]propionic acid hydrate Formula: C15H15N3O8 MolecularWeight: 365.2949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].O

InChI

InChI=1S/C15H13N3O7.H2O/c16-12(15(19)20)7-9-1-4-11(5-2-9)25-14-6-3-10(17(21)22)8-13(14)18(23)24;/h1-6,8,12H,7,16H2,(H,19,20);1H2