[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(2-furoylamino)-4,5-dimethoxy-benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C22H18BrN3O9 MolecularWeight: 548.29702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)NC(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)NC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C22H18BrN3O9/c1-32-18-9-13(16(10-19(18)33-2)25-21(28)17-4-3-7-34-17)22(29)35-11-20(27)24-15-6-5-12(26(30)31)8-14(15)23/h3-10H,11H2,1-2H3,(H,24,27)(H,25,28)