[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methylfuran-2-carboxylate

Systemtic Name: [(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methylfuran-2-carboxylate Openeye Name: [(1S)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 5-methylfuran-2-carboxylate CAS Name: 5-methyl-2-furancarboxylic acid [(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate Traditional Name: 5-methylfuran-2-carboxylic acid [(1S)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C15H13ClN2O6 MolecularWeight: 352.72652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(O1)C(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H13ClN2O6/c1-8-3-6-13(23-8)15(20)24-9(2)14(19)17-12-5-4-10(18(21)22)7-11(12)16/h3-7,9H,1-2H3,(H,17,19)/t9-/m0/s1