methyl 5-[2-(2-nitro-3-oxidanyl-hexyl)-1,3-dioxolan-2-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-[2-(2-nitro-3-oxidanyl-hexyl)-1,3-dioxolan-2-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-[2-(3-hydroxy-2-nitro-hexyl)-1,3-dioxolan-2-yl]-1H-pyrrole-2-carboxylate CAS Name: 5-[2-(3-hydroxy-2-nitrohexyl)-1,3-dioxolan-2-yl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(3-hydroxy-2-nitrohexyl)-1,3-dioxolan-2-yl]-1H-pyrrole-2-carboxylate Traditional Name: 5-[2-(3-hydroxy-2-nitro-hexyl)-1,3-dioxolan-2-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C15H22N2O7 MolecularWeight: 342.34438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1(OCCO1)C2=CC=C(N2)C(=O)OC)[N+](=O)[O-])O

Isomeric SMILES

CCCC(C(CC1(OCCO1)C2=CC=C(N2)C(=O)OC)[N+](=O)[O-])O

InChI

InChI=1S/C15H22N2O7/c1-3-4-12(18)11(17(20)21)9-15(23-7-8-24-15)13-6-5-10(16-13)14(19)22-2/h5-6,11-12,16,18H,3-4,7-9H2,1-2H3