(4-nitrophenyl)methyl 4-[(2-oxidanylidene-2-propoxy-ethyl)amino]but-2-ynoate

Systemtic Name: (4-nitrophenyl)methyl 4-[(2-oxidanylidene-2-propoxy-ethyl)amino]but-2-ynoate Openeye Name: (4-nitrophenyl)methyl 4-[(2-oxo-2-propoxy-ethyl)amino]but-2-ynoate CAS Name: 4-[(2-oxo-2-propoxyethyl)amino]-2-butynoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(2-oxo-2-propoxyethyl)amino]but-2-ynoate Traditional Name: 4-[(2-keto-2-propoxy-ethyl)amino]but-2-ynoic acid (4-nitrobenzyl) ester Formula: C16H18N2O6 MolecularWeight: 334.32392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CNCC#CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)CNCC#CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-2-10-23-16(20)11-17-9-3-4-15(19)24-12-13-5-7-14(8-6-13)18(21)22/h5-8,17H,2,9-12H2,1H3