(4-aminocarbonyl-2-nitro-phenyl)methyl 5-bromanylthiophene-2-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 5-bromanylthiophene-2-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C13H9BrN2O5S MolecularWeight: 385.18996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H9BrN2O5S/c14-11-4-3-10(22-11)13(18)21-6-8-2-1-7(12(15)17)5-9(8)16(19)20/h1-5H,6H2,(H2,15,17)