[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H13BrN2O6S MolecularWeight: 441.25322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CSC(=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN2O6S/c17-11-8-10(19(23)24)3-4-12(11)18-15(21)9-25-16(22)6-5-13(20)14-2-1-7-26-14/h1-4,7-8H,5-6,9H2,(H,18,21)