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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O6/c19-12-3-8-16(15(9-12)21(24)25)27-14-6-1-11(2-7-14)18(23)26-10-17(22)20-13-4-5-13/h1-3,6-9,13H,4-5,10H2,(H,20,22)