[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5/c1-12(13-5-3-2-4-6-13)9-18(23)26-11-17(22)20-15-10-14(19)7-8-16(15)21(24)25/h2-8,10,12H,9,11H2,1H3,(H,20,22)/t12-/m1/s1