butan-1-amine; 3-(5-nitro-2-oxidanyl-phenoxy)propane-1,2-diol

Systemtic Name: butan-1-amine; 3-(5-nitro-2-oxidanyl-phenoxy)propane-1,2-diol Openeye Name: butan-1-amine; 3-(2-hydroxy-5-nitro-phenoxy)propane-1,2-diol CAS Name: 1-butanamine; 3-(2-hydroxy-5-nitrophenoxy)propane-1,2-diol IUPAC Name: butan-1-amine; 3-(2-hydroxy-5-nitrophenoxy)propane-1,2-diol Traditional Name: butylamine; 3-(2-hydroxy-5-nitro-phenoxy)propane-1,2-diol Formula: C13H22N2O6 MolecularWeight: 302.32358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.C1=CC(=C(C=C1[N+](=O)[O-])OCC(CO)O)O

Isomeric SMILES

CCCCN.C1=CC(=C(C=C1[N+](=O)[O-])OCC(CO)O)O

InChI

InChI=1S/C9H11NO6.C4H11N/c11-4-7(12)5-16-9-3-6(10(14)15)1-2-8(9)13;1-2-3-4-5/h1-3,7,11-13H,4-5H2;2-5H2,1H3