2-[(5-bromanyl-2-nitro-phenyl)-butyl-amino]ethanoic acid

Systemtic Name: 2-[(5-bromanyl-2-nitro-phenyl)-butyl-amino]ethanoic acid Openeye Name: 2-(5-bromo-N-butyl-2-nitro-anilino)acetic acid CAS Name: 2-(5-bromo-N-butyl-2-nitroanilino)acetic acid IUPAC Name: 2-(5-bromo-N-butyl-2-nitroanilino)acetic acid Traditional Name: 2-(5-bromo-N-butyl-2-nitro-anilino)acetic acid Formula: C12H15BrN2O4 MolecularWeight: 331.1625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O4/c1-2-3-6-14(8-12(16)17)11-7-9(13)4-5-10(11)15(18)19/h4-5,7H,2-3,6,8H2,1H3,(H,16,17)