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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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