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

Systemtic Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-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-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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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-])N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O5/c1-12(14-6-4-5-7-16(14)20)21-18(24)11-28-19(25)15-10-13(23(26)27)8-9-17(15)22(2)3/h4-10,12H,11H2,1-3H3,(H,21,24)/t12-/m1/s1