3-(5-azanyl-4-nitro-2-oxidanyl-phenyl)propanoate

Systemtic Name: 3-(5-azanyl-4-nitro-2-oxidanyl-phenyl)propanoate Openeye Name: 3-(5-amino-2-hydroxy-4-nitro-phenyl)propanoate CAS Name: 3-(5-amino-2-hydroxy-4-nitrophenyl)propanoate IUPAC Name: 3-(5-amino-2-hydroxy-4-nitrophenyl)propanoate Traditional Name: 3-(5-amino-2-hydroxy-4-nitro-phenyl)propionate Formula: C9H9N2O5- MolecularWeight: 225.17816

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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)/p-1