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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C14H13BrN2O5 MolecularWeight: 369.16742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O5/c1-16-7-11(17(19)20)6-12(16)14(18)22-8-9-5-10(15)3-4-13(9)21-2/h3-7H,8H2,1-2H3