[(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl] 2-chloranylethanoate

Systemtic Name: [(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl] 2-chloranylethanoate Openeye Name: [(1S)-1-[(4-methoxy-2-nitro-phenyl)carbamoyl]-2-methyl-propyl] 2-chloroacetate CAS Name: 2-chloroacetic acid [(2S)-1-(4-methoxy-2-nitroanilino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxy-2-nitroanilino)-3-methyl-1-oxobutan-2-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(1S)-1-[(4-methoxy-2-nitro-phenyl)carbamoyl]-2-methyl-propyl] ester Formula: C14H17ClN2O6 MolecularWeight: 344.74758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O6/c1-8(2)13(23-12(18)7-15)14(19)16-10-5-4-9(22-3)6-11(10)17(20)21/h4-6,8,13H,7H2,1-3H3,(H,16,19)/t13-/m0/s1