[(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C14H13ClN4O5 MolecularWeight: 352.72982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CN(N=C2)C

InChI

InChI=1S/C14H13ClN4O5/c1-8(24-14(21)9-6-16-18(2)7-9)13(20)17-12-4-3-10(19(22)23)5-11(12)15/h3-8H,1-2H3,(H,17,20)/t8-/m1/s1