[(2S)-1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]-2,3-dihydropyrrol-2-yl]methyl ethanoate

Systemtic Name: [(2S)-1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]-2,3-dihydropyrrol-2-yl]methyl ethanoate Openeye Name: [(2S)-1-(6-nitro-1,3-benzodioxole-5-carbonyl)-2,3-dihydropyrrol-2-yl]methyl acetate CAS Name: acetic acid [(2S)-1-[(6-nitro-1,3-benzodioxol-5-yl)-oxomethyl]-2,3-dihydropyrrol-2-yl]methyl ester IUPAC Name: [(2S)-1-(6-nitro-1,3-benzodioxole-5-carbonyl)-2,3-dihydropyrrol-2-yl]methyl acetate Traditional Name: acetic acid [(2S)-1-(6-nitropiperonyloyl)-2-pyrrolin-2-yl]methyl ester Formula: C15H14N2O7 MolecularWeight: 334.28086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC=CN1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(=O)OC[C@@H]1CC=CN1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C15H14N2O7/c1-9(18)22-7-10-3-2-4-16(10)15(19)11-5-13-14(24-8-23-13)6-12(11)17(20)21/h2,4-6,10H,3,7-8H2,1H3/t10-/m0/s1