2-[1-(2-bromanyl-6-nitro-phenyl)propan-2-ylamino]ethanoic acid

Systemtic Name: 2-[1-(2-bromanyl-6-nitro-phenyl)propan-2-ylamino]ethanoic acid Openeye Name: 2-[[2-(2-bromo-6-nitro-phenyl)-1-methyl-ethyl]amino]acetic acid CAS Name: 2-[1-(2-bromo-6-nitrophenyl)propan-2-ylamino]acetic acid IUPAC Name: 2-[1-(2-bromo-6-nitrophenyl)propan-2-ylamino]acetic acid Traditional Name: 2-[[2-(2-bromo-6-nitro-phenyl)-1-methyl-ethyl]amino]acetic acid Formula: C11H13BrN2O4 MolecularWeight: 317.13592

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC=C1Br)[N+](=O)[O-])NCC(=O)O

Isomeric SMILES

CC(CC1=C(C=CC=C1Br)[N+](=O)[O-])NCC(=O)O

InChI

InChI=1S/C11H13BrN2O4/c1-7(13-6-11(15)16)5-8-9(12)3-2-4-10(8)14(17)18/h2-4,7,13H,5-6H2,1H3,(H,15,16)