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

Systemtic Name: [(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylpropanoate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O5/c1-7(2)13(18)21-8(3)12(17)15-11-5-4-9(16(19)20)6-10(11)14/h4-8H,1-3H3,(H,15,17)/t8-/m1/s1