methyl 1-(3,5-dinitrophenyl)pyrrole-2-carboxylate

Systemtic Name: methyl 1-(3,5-dinitrophenyl)pyrrole-2-carboxylate Openeye Name: methyl 1-(3,5-dinitrophenyl)pyrrole-2-carboxylate CAS Name: 1-(3,5-dinitrophenyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3,5-dinitrophenyl)pyrrole-2-carboxylate Traditional Name: 1-(3,5-dinitrophenyl)pyrrole-2-carboxylic acid methyl ester Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CN1C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CN1C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O6/c1-21-12(16)11-3-2-4-13(11)8-5-9(14(17)18)7-10(6-8)15(19)20/h2-7H,1H3