methyl 2,4-dimethyl-5-[(2S)-2-(2-nitropyridin-3-yl)oxypropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(2-nitropyridin-3-yl)oxypropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-[(2-nitro-3-pyridyl)oxy]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[(2-nitro-3-pyridinyl)oxy]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-(2-nitropyridin-3-yl)oxypropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[(2-nitro-3-pyridyl)oxy]propanoyl]-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)OC2=C(N=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC2=C(N=CC=C2)[N+](=O)[O-]

InChI

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