[(2S)-4-methanoyl-1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]-2,3-dihydropyrrol-2-yl]methyl ethanoate

Systemtic Name: [(2S)-4-methanoyl-1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]-2,3-dihydropyrrol-2-yl]methyl ethanoate Openeye Name: [(2S)-4-formyl-1-(6-nitro-1,3-benzodioxole-5-carbonyl)-2,3-dihydropyrrol-2-yl]methyl acetate CAS Name: acetic acid [(2S)-4-formyl-1-[(6-nitro-1,3-benzodioxol-5-yl)-oxomethyl]-2,3-dihydropyrrol-2-yl]methyl ester IUPAC Name: [(2S)-4-formyl-1-(6-nitro-1,3-benzodioxole-5-carbonyl)-2,3-dihydropyrrol-2-yl]methyl acetate Traditional Name: acetic acid [(2S)-4-formyl-1-(6-nitropiperonyloyl)-2-pyrrolin-2-yl]methyl ester Formula: C16H14N2O8 MolecularWeight: 362.29096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O8/c1-9(20)24-7-11-2-10(6-19)5-17(11)16(21)12-3-14-15(26-8-25-14)4-13(12)18(22)23/h3-6,11H,2,7-8H2,1H3/t11-/m0/s1