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

Systemtic Name: [(2R)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate Openeye Name: [(1R)-2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1R)-2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H12Cl2N2O5 MolecularWeight: 383.18288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N2O5/c1-9(15(21)19-14-6-5-11(17)8-13(14)18)25-16(22)10-3-2-4-12(7-10)20(23)24/h2-9H,1H3,(H,19,21)/t9-/m1/s1