[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H15ClN2O5 MolecularWeight: 374.7751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN2O5/c19-15-10-13(21(24)25)8-9-14(15)18(23)26-16(11-4-2-1-3-5-11)17(22)20-12-6-7-12/h1-5,8-10,12,16H,6-7H2,(H,20,22)