4-nitro-5-(1-oxidanylbutyl)-1-propyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-nitro-5-(1-oxidanylbutyl)-1-propyl-pyrrole-2-carboxylic acid Openeye Name: 5-(1-hydroxybutyl)-4-nitro-1-propyl-pyrrole-2-carboxylic acid CAS Name: 5-(1-hydroxybutyl)-4-nitro-1-propyl-2-pyrrolecarboxylic acid IUPAC Name: 5-(1-hydroxybutyl)-4-nitro-1-propylpyrrole-2-carboxylic acid Traditional Name: 5-(1-hydroxybutyl)-4-nitro-1-propyl-pyrrole-2-carboxylic acid Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(N1CCC)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CCCC(C1=C(C=C(N1CCC)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C12H18N2O5/c1-3-5-10(15)11-8(14(18)19)7-9(12(16)17)13(11)6-4-2/h7,10,15H,3-6H2,1-2H3,(H,16,17)