[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O6/c1-2-17(23)20-13-6-3-11(4-7-13)16(22)10-27-18(24)14-9-12(19)5-8-15(14)21(25)26/h3-9H,2,10H2,1H3,(H,20,23)