[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(furan-2-ylcarbonylamino)thiophene-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(furan-2-ylcarbonylamino)thiophene-2-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate CAS Name: 5-[[2-furanyl(oxo)methyl]amino]-2-thiophenecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate Traditional Name: 5-(2-furoylamino)thiophene-2-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H12BrN3O7S MolecularWeight: 494.27278

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=CC=C(S2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=CC=C(S2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H12BrN3O7S/c19-11-8-10(22(26)27)3-4-12(11)20-15(23)9-29-18(25)14-5-6-16(30-14)21-17(24)13-2-1-7-28-13/h1-8H,9H2,(H,20,23)(H,21,24)