[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-(furan-2-carbonylamino)propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate Traditional Name: 2-(2-furoylamino)propionic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H14BrN3O7 MolecularWeight: 440.20226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)NC(=O)C2=CC=CO2

InChI

InChI=1S/C16H14BrN3O7/c1-9(18-15(22)13-3-2-6-26-13)16(23)27-8-14(21)19-12-5-4-10(20(24)25)7-11(12)17/h2-7,9H,8H2,1H3,(H,18,22)(H,19,21)