[(2S)-4-methanoyl-1-(3-methoxy-2-nitro-phenyl)carbonyl-2,3-dihydropyrrol-2-yl]methyl ethanoate

Systemtic Name: [(2S)-4-methanoyl-1-(3-methoxy-2-nitro-phenyl)carbonyl-2,3-dihydropyrrol-2-yl]methyl ethanoate Openeye Name: [(2S)-4-formyl-1-(3-methoxy-2-nitro-benzoyl)-2,3-dihydropyrrol-2-yl]methyl acetate CAS Name: acetic acid [(2S)-4-formyl-1-[(3-methoxy-2-nitrophenyl)-oxomethyl]-2,3-dihydropyrrol-2-yl]methyl ester IUPAC Name: [(2S)-4-formyl-1-(3-methoxy-2-nitrobenzoyl)-2,3-dihydropyrrol-2-yl]methyl acetate Traditional Name: acetic acid [(2S)-4-formyl-1-(3-methoxy-2-nitro-benzoyl)-2-pyrrolin-2-yl]methyl ester Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7/c1-10(20)25-9-12-6-11(8-19)7-17(12)16(21)13-4-3-5-14(24-2)15(13)18(22)23/h3-5,7-8,12H,6,9H2,1-2H3/t12-/m0/s1