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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(3-nitrophenoxy)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(3-nitrophenoxy)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-(3-nitrophenoxy)-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(3-nitrophenoxy)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(3-nitrophenoxy)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H18N2O6/c1-4-24-17(21)16-11(3)18-10(2)15(16)14(20)9-25-13-7-5-6-12(8-13)19(22)23/h5-8,18H,4,9H2,1-3H3