3-[(4-bromanyl-3-nitro-phenyl)methylamino]propanoic acid

Systemtic Name: 3-[(4-bromanyl-3-nitro-phenyl)methylamino]propanoic acid Openeye Name: 3-[(4-bromo-3-nitro-phenyl)methylamino]propanoic acid CAS Name: 3-[(4-bromo-3-nitrophenyl)methylamino]propanoic acid IUPAC Name: 3-[(4-bromo-3-nitrophenyl)methylamino]propanoic acid Traditional Name: 3-[(4-bromo-3-nitro-benzyl)amino]propionic acid Formula: C10H11BrN2O4 MolecularWeight: 303.10934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNCCC(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1CNCCC(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C10H11BrN2O4/c11-8-2-1-7(5-9(8)13(16)17)6-12-4-3-10(14)15/h1-2,5,12H,3-4,6H2,(H,14,15)