[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O6/c1-13-12-15(9-10-16(13)21)28-11-5-8-19(24)29-14(2)20(25)22-17-6-3-4-7-18(17)23(26)27/h3-4,6-7,9-10,12,14H,5,8,11H2,1-2H3,(H,22,25)/t14-/m1/s1