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

Systemtic Name: 2-[(5-bromanyl-2-nitro-phenyl)-propan-2-yl-amino]ethanoic acid Openeye Name: 2-(5-bromo-N-isopropyl-2-nitro-anilino)acetic acid CAS Name: 2-(5-bromo-2-nitro-N-propan-2-ylanilino)acetic acid IUPAC Name: 2-(5-bromo-2-nitro-N-propan-2-ylanilino)acetic acid Traditional Name: 2-(5-bromo-N-isopropyl-2-nitro-anilino)acetic acid Formula: C11H13BrN2O4 MolecularWeight: 317.13592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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