[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate

Systemtic Name: [(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate Openeye Name: [(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O5/c1-10(15(20)18-13-4-2-3-12(17)9-13)24-16(21)11-5-7-14(8-6-11)19(22)23/h2-10H,1H3,(H,18,20)/t10-/m1/s1