[(2S)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [(2S)-1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C17H14ClN3O6 MolecularWeight: 391.76256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O6/c1-10(15(22)20-17(24)19-12-5-3-2-4-6-12)27-16(23)13-8-7-11(18)9-14(13)21(25)26/h2-10H,1H3,(H2,19,20,22,24)/t10-/m0/s1