[(2S)-4-[(E)-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]-1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]-2,3-dihydropyrrol-2-yl]methyl ethanoate

Systemtic Name: [(2S)-4-[(E)-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]-1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]-2,3-dihydropyrrol-2-yl]methyl ethanoate Openeye Name: [(2S)-4-[(E)-3-(dimethylamino)-3-oxo-prop-1-enyl]-1-(6-nitro-1,3-benzodioxole-5-carbonyl)-2,3-dihydropyrrol-2-yl]methyl acetate CAS Name: acetic acid [(2S)-4-[(E)-3-(dimethylamino)-3-oxoprop-1-enyl]-1-[(6-nitro-1,3-benzodioxol-5-yl)-oxomethyl]-2,3-dihydropyrrol-2-yl]methyl ester IUPAC Name: [(2S)-4-[(E)-3-(dimethylamino)-3-oxoprop-1-enyl]-1-(6-nitro-1,3-benzodioxole-5-carbonyl)-2,3-dihydropyrrol-2-yl]methyl acetate Traditional Name: acetic acid [(2S)-4-[(E)-3-(dimethylamino)-3-keto-prop-1-enyl]-1-(6-nitropiperonyloyl)-2-pyrrolin-2-yl]methyl ester Formula: C20H21N3O8 MolecularWeight: 431.39604

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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=CC(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O8/c1-12(24)29-10-14-6-13(4-5-19(25)21(2)3)9-22(14)20(26)15-7-17-18(31-11-30-17)8-16(15)23(27)28/h4-5,7-9,14H,6,10-11H2,1-3H3/b5-4+/t14-/m0/s1