[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])OC2=CC=CC=C2

InChI

InChI=1S/C18H17ClN2O6/c1-2-16(27-13-6-4-3-5-7-13)18(23)26-11-17(22)20-12-8-9-14(19)15(10-12)21(24)25/h3-10,16H,2,11H2,1H3,(H,20,22)/t16-/m1/s1