5-(6-bromanylhexanoylamino)-2-nitro-benzoic acid

Systemtic Name: 5-(6-bromanylhexanoylamino)-2-nitro-benzoic acid Openeye Name: 5-(6-bromohexanoylamino)-2-nitro-benzoic acid CAS Name: 5-[(6-bromo-1-oxohexyl)amino]-2-nitrobenzoic acid IUPAC Name: 5-(6-bromohexanoylamino)-2-nitrobenzoic acid Traditional Name: 5-(6-bromohexanoylamino)-2-nitro-benzoic acid Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCCCBr)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCCCBr)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H15BrN2O5/c14-7-3-1-2-4-12(17)15-9-5-6-11(16(20)21)10(8-9)13(18)19/h5-6,8H,1-4,7H2,(H,15,17)(H,18,19)