4-[1,3-bis(oxidanyl)propan-2-ylamino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[1,3-bis(oxidanyl)propan-2-ylamino]-3,5-dinitro-benzoic acid Openeye Name: 4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-3,5-dinitro-benzoic acid CAS Name: 4-(1,3-dihydroxypropan-2-ylamino)-3,5-dinitrobenzoic acid IUPAC Name: 4-(1,3-dihydroxypropan-2-ylamino)-3,5-dinitrobenzoic acid Traditional Name: 4-[(2-hydroxy-1-methylol-ethyl)amino]-3,5-dinitro-benzoic acid Formula: C10H11N3O8 MolecularWeight: 301.20964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O8/c14-3-6(4-15)11-9-7(12(18)19)1-5(10(16)17)2-8(9)13(20)21/h1-2,6,11,14-15H,3-4H2,(H,16,17)