[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C18H14Cl2N2O6 MolecularWeight: 425.21956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14Cl2N2O6/c19-14-6-3-12(9-15(14)20)16(23)10-28-17(24)7-8-21-18(25)11-1-4-13(5-2-11)22(26)27/h1-6,9H,7-8,10H2,(H,21,25)