methyl 2,4-dimethyl-5-[(2S)-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-(5-nitro-2-oxo-1-pyridyl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-(5-nitro-2-oxo-1-pyridinyl)-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-(5-nitro-2-oxopyridin-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(2-keto-5-nitro-1-pyridyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)N2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6/c1-8-13(16(22)25-4)9(2)17-14(8)15(21)10(3)18-7-11(19(23)24)5-6-12(18)20/h5-7,10,17H,1-4H3/t10-/m0/s1