(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-bromanyl-3-nitro-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-bromanyl-3-nitro-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C15H12BrNO5S MolecularWeight: 398.22848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO5S/c16-11-6-5-10(9-12(11)17(20)21)15(19)22-7-1-3-13(18)14-4-2-8-23-14/h2,4-6,8-9H,1,3,7H2