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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(3-nitrophenoxy)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(3-nitrophenoxy)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-(3-nitrophenoxy)-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(3-nitrophenoxy)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(3-nitrophenoxy)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6/c1-9-14(16(20)23-3)10(2)17-15(9)13(19)8-24-12-6-4-5-11(7-12)18(21)22/h4-7,17H,8H2,1-3H3