methyl 2,4-dimethyl-5-[2-(4-nitroimidazol-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-nitroimidazol-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(4-nitroimidazol-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-(4-nitro-1-imidazolyl)-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-nitroimidazol-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(4-nitroimidazol-1-yl)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H14N4O5 MolecularWeight: 306.27406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5/c1-7-11(13(19)22-3)8(2)15-12(7)9(18)4-16-5-10(14-6-16)17(20)21/h5-6,15H,4H2,1-3H3