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

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C17H19BrN2O6 MolecularWeight: 427.24656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=CN2C)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=CN2C)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C17H19BrN2O6/c1-4-24-15-6-11(13(18)8-16(15)25-5-2)10-26-17(21)14-7-12(20(22)23)9-19(14)3/h6-9H,4-5,10H2,1-3H3