[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(furan-2-carbonylamino)propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]propanoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)propanoate Traditional Name: 2-(2-furoylamino)propionic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H16ClN3O7 MolecularWeight: 409.77784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O7/c1-9(19-16(23)14-4-3-7-27-14)17(24)28-10(2)15(22)20-13-8-11(21(25)26)5-6-12(13)18/h3-10H,1-2H3,(H,19,23)(H,20,22)