ethyl 4-ethanoyl-5-methyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-4-23-16(20)14-13(10(3)19)9(2)17-15(14)11-6-5-7-12(8-11)18(21)22/h5-8,17H,4H2,1-3H3