methyl (2S)-2-[(4-bromanyl-3-nitro-phenyl)methylamino]propanoate

Systemtic Name: methyl (2S)-2-[(4-bromanyl-3-nitro-phenyl)methylamino]propanoate Openeye Name: methyl (2S)-2-[(4-bromo-3-nitro-phenyl)methylamino]propanoate CAS Name: (2S)-2-[(4-bromo-3-nitrophenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-bromo-3-nitrophenyl)methylamino]propanoate Traditional Name: (2S)-2-[(4-bromo-3-nitro-benzyl)amino]propionic acid methyl ester Formula: C11H13BrN2O4 MolecularWeight: 317.13592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NCC1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OC)NCC1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C11H13BrN2O4/c1-7(11(15)18-2)13-6-8-3-4-9(12)10(5-8)14(16)17/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1