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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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