[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17ClN2O6/c1-11(13-5-3-4-6-15(13)19)20-17(22)10-27-18(23)14-9-12(21(24)25)7-8-16(14)26-2/h3-9,11H,10H2,1-2H3,(H,20,22)/t11-/m1/s1