[(2R)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [(2R)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [(1R)-2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClN3O6 MolecularWeight: 407.80502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C18H18ClN3O6/c1-11(17(24)21-16-5-3-2-4-14(16)19)28-18(25)13-10-12(22(26)27)6-7-15(13)20-8-9-23/h2-7,10-11,20,23H,8-9H2,1H3,(H,21,24)/t11-/m1/s1