3-(5-azanyl-4-nitro-2-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-(5-azanyl-4-nitro-2-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(5-amino-2-hydroxy-4-nitro-phenyl)propanoic acid CAS Name: 3-(5-amino-2-hydroxy-4-nitrophenyl)propanoic acid IUPAC Name: 3-(5-amino-2-hydroxy-4-nitrophenyl)propanoic acid Traditional Name: 3-(5-amino-2-hydroxy-4-nitro-phenyl)propionic acid Formula: C9H10N2O5 MolecularWeight: 226.1861

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N)[N+](=O)[O-])O)CCC(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1N)[N+](=O)[O-])O)CCC(=O)O

InChI

InChI=1S/C9H10N2O5/c10-6-3-5(1-2-9(13)14)8(12)4-7(6)11(15)16/h3-4,12H,1-2,10H2,(H,13,14)