[4-(4-bromophenyl)-4-oxidanylidene-butyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 5-nitrothiophene-2-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C15H12BrNO5S MolecularWeight: 398.22848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO5S/c16-11-5-3-10(4-6-11)12(18)2-1-9-22-15(19)13-7-8-14(23-13)17(20)21/h3-8H,1-2,9H2