methyl 5-[bromanyl(phenyl)methyl]-1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: methyl 5-[bromanyl(phenyl)methyl]-1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: methyl 5-[bromo(phenyl)methyl]-1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 5-[bromo(phenyl)methyl]-1-methyl-4-nitro-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[bromo(phenyl)methyl]-1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 5-[bromo(phenyl)methyl]-1-methyl-4-nitro-pyrrole-2-carboxylic acid methyl ester Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O4/c1-16-11(14(18)21-2)8-10(17(19)20)13(16)12(15)9-6-4-3-5-7-9/h3-8,12H,1-2H3