2-[1,5-bis(oxidanyl)pentan-2-ylamino]-3-nitro-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])NC(CCCO)CO)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])NC(CCCO)CO)C(=O)O

InChI

InChI=1S/C12H16N2O6/c15-6-2-3-8(7-16)13-11-9(12(17)18)4-1-5-10(11)14(19)20/h1,4-5,8,13,15-16H,2-3,6-7H2,(H,17,18)