[(1R)-1-cyanoethyl] 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [(1R)-1-cyanoethyl] 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[4-(dimethylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-12(11-20)27-19(24)15-7-5-4-6-14(15)18(23)13-8-9-16(21(2)3)17(10-13)22(25)26/h4-10,12H,1-3H3/t12-/m1/s1