ethyl 2-[2-[(2,4-dinitrophenyl)methoxycarbonylamino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[(2,4-dinitrophenyl)methoxycarbonylamino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[(2,4-dinitrophenyl)methoxycarbonylamino]acetyl]amino]acetate CAS Name: 2-[[2-[[(2,4-dinitrophenyl)methoxy-oxomethyl]amino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2,4-dinitrophenyl)methoxycarbonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[(2,4-dinitrobenzyl)oxycarbonylamino]acetyl]amino]acetic acid ethyl ester Formula: C14H16N4O9 MolecularWeight: 384.29824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CNC(=O)OCC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC(=O)CNC(=O)OCC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O9/c1-2-26-13(20)7-15-12(19)6-16-14(21)27-8-9-3-4-10(17(22)23)5-11(9)18(24)25/h3-5H,2,6-8H2,1H3,(H,15,19)(H,16,21)