ethyl 4-nitro-5-(1-oxidanylbutyl)-1-propyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-nitro-5-(1-oxidanylbutyl)-1-propyl-pyrrole-2-carboxylate Openeye Name: ethyl 5-(1-hydroxybutyl)-4-nitro-1-propyl-pyrrole-2-carboxylate CAS Name: 5-(1-hydroxybutyl)-4-nitro-1-propyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-hydroxybutyl)-4-nitro-1-propylpyrrole-2-carboxylate Traditional Name: 5-(1-hydroxybutyl)-4-nitro-1-propyl-pyrrole-2-carboxylic acid ethyl ester Formula: C14H22N2O5 MolecularWeight: 298.33488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O5/c1-4-7-12(17)13-10(16(19)20)9-11(14(18)21-6-3)15(13)8-5-2/h9,12,17H,4-8H2,1-3H3