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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (2-methoxy-2-oxo-ethyl) 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (2-keto-2-methoxy-ethyl) ester Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O7/c1-21-12(17)8-22-11(16)6-7-14-13(18)9-2-4-10(5-3-9)15(19)20/h2-5H,6-8H2,1H3,(H,14,18)