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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])C

InChI

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