(2-bromanyl-4,5-dimethoxy-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C15H15BrN2O6 MolecularWeight: 399.1934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CC(=C(C=C2Br)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CC(=C(C=C2Br)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H15BrN2O6/c1-17-7-10(18(20)21)5-12(17)15(19)24-8-9-4-13(22-2)14(23-3)6-11(9)16/h4-7H,8H2,1-3H3