3-[5,5-bis(oxidanyl)pentan-2-ylamino]-5-nitro-benzoic acid

Systemtic Name: 3-[5,5-bis(oxidanyl)pentan-2-ylamino]-5-nitro-benzoic acid Openeye Name: 3-[(4,4-dihydroxy-1-methyl-butyl)amino]-5-nitro-benzoic acid CAS Name: 3-(5,5-dihydroxypentan-2-ylamino)-5-nitrobenzoic acid IUPAC Name: 3-(5,5-dihydroxypentan-2-ylamino)-5-nitrobenzoic acid Traditional Name: 3-[(4,4-dihydroxy-1-methyl-butyl)amino]-5-nitro-benzoic acid Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6/c1-7(2-3-11(15)16)13-9-4-8(12(17)18)5-10(6-9)14(19)20/h4-7,11,13,15-16H,2-3H2,1H3,(H,17,18)