[2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(N-(1,1-diketo-2,3-dihydrothiophen-3-yl)anilino)-2-keto-ethyl] ester Formula: C19H15BrN2O7S MolecularWeight: 495.3006

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN2O7S/c20-16-7-6-13(10-17(16)22(25)26)19(24)29-11-18(23)21(14-4-2-1-3-5-14)15-8-9-30(27,28)12-15/h1-10,15H,11-12H2