(3-bromophenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (3-bromophenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (3-bromophenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (3-bromobenzyl) ester Formula: C13H11BrN2O4 MolecularWeight: 339.14144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN2O4/c1-15-7-11(16(18)19)6-12(15)13(17)20-8-9-3-2-4-10(14)5-9/h2-7H,8H2,1H3