2-azanyl-1-(4-nitrophenyl)propane-1,3-diol hydrate

Systemtic Name: 2-azanyl-1-(4-nitrophenyl)propane-1,3-diol hydrate Openeye Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol hydrate CAS Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol hydrate IUPAC Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol hydrate Traditional Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol hydrate Formula: C9H14N2O5 MolecularWeight: 230.21786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-].O

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-].O

InChI

InChI=1S/C9H12N2O4.H2O/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15;/h1-4,8-9,12-13H,5,10H2;1H2