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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-2-14-3-5-15(6-4-14)18(23)13-28-19(24)11-12-21-20(25)16-7-9-17(10-8-16)22(26)27/h3-10H,2,11-13H2,1H3,(H,21,25)