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

Systemtic Name: 2-azanyl-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-amino-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)propanoic acid CAS Name: 2-amino-3-(4-hydroxy-3-methoxy-5-nitrophenyl)propanoic acid IUPAC Name: 2-amino-3-(4-hydroxy-3-methoxy-5-nitrophenyl)propanoic acid Traditional Name: 2-amino-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)propionic acid Formula: C10H12N2O6 MolecularWeight: 256.21208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])CC(C(=O)O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])CC(C(=O)O)N

InChI

InChI=1S/C10H12N2O6/c1-18-8-4-5(2-6(11)10(14)15)3-7(9(8)13)12(16)17/h3-4,6,13H,2,11H2,1H3,(H,14,15)