[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O6/c1-12-2-3-14(10-16(12)22(26)27)17(23)11-28-18(24)8-9-21-19(25)13-4-6-15(20)7-5-13/h2-7,10H,8-9,11H2,1H3,(H,21,25)