2-[6,6-bis(oxidanyl)hexan-2-ylamino]-6-nitro-benzoic acid

Systemtic Name: 2-[6,6-bis(oxidanyl)hexan-2-ylamino]-6-nitro-benzoic acid Openeye Name: 2-[(5,5-dihydroxy-1-methyl-pentyl)amino]-6-nitro-benzoic acid CAS Name: 2-(6,6-dihydroxyhexan-2-ylamino)-6-nitrobenzoic acid IUPAC Name: 2-(6,6-dihydroxyhexan-2-ylamino)-6-nitrobenzoic acid Traditional Name: 2-[(5,5-dihydroxy-1-methyl-pentyl)amino]-6-nitro-benzoic acid Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(O)O)NC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(CCCC(O)O)NC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H18N2O6/c1-8(4-2-7-11(16)17)14-9-5-3-6-10(15(20)21)12(9)13(18)19/h3,5-6,8,11,14,16-17H,2,4,7H2,1H3,(H,18,19)