[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-nitro-benzoate Openeye Name: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

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