2-[(2-bromanyl-6-nitro-phenyl)methylamino]butanoic acid

Systemtic Name: 2-[(2-bromanyl-6-nitro-phenyl)methylamino]butanoic acid Openeye Name: 2-[(2-bromo-6-nitro-phenyl)methylamino]butanoic acid CAS Name: 2-[(2-bromo-6-nitrophenyl)methylamino]butanoic acid IUPAC Name: 2-[(2-bromo-6-nitrophenyl)methylamino]butanoic acid Traditional Name: 2-[(2-bromo-6-nitro-benzyl)amino]butyric acid Formula: C11H13BrN2O4 MolecularWeight: 317.13592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NCC1=C(C=CC=C1Br)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)NCC1=C(C=CC=C1Br)[N+](=O)[O-]

InChI

InChI=1S/C11H13BrN2O4/c1-2-9(11(15)16)13-6-7-8(12)4-3-5-10(7)14(17)18/h3-5,9,13H,2,6H2,1H3,(H,15,16)