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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H18N4O7 MolecularWeight: 378.33672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O7/c1-2-8-18-16(24)19-13(21)10-27-14(22)7-9-17-15(23)11-3-5-12(6-4-11)20(25)26/h2-6H,1,7-10H2,(H,17,23)(H2,18,19,21,24)