[(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylpentanoate

Systemtic Name: [(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylpentanoate Openeye Name: [(1R)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [(1R)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C15H19ClN2O5 MolecularWeight: 342.77476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O5/c1-9(2)4-7-14(19)23-10(3)15(20)17-13-8-11(18(21)22)5-6-12(13)16/h5-6,8-10H,4,7H2,1-3H3,(H,17,20)/t10-/m1/s1