(phenylmethyl) 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: benzyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid benzyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4/c1-14-8-11(15(17)18)7-12(14)13(16)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3