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

Systemtic Name: (4-nitrophenyl)methyl 4-[(2-butan-2-yloxy-2-oxidanylidene-ethyl)amino]but-2-ynoate Openeye Name: (4-nitrophenyl)methyl 4-[(2-oxo-2-sec-butoxy-ethyl)amino]but-2-ynoate CAS Name: 4-[(2-butan-2-yloxy-2-oxoethyl)amino]-2-butynoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(2-butan-2-yloxy-2-oxoethyl)amino]but-2-ynoate Traditional Name: 4-[(2-keto-2-sec-butoxy-ethyl)amino]but-2-ynoic acid (4-nitrobenzyl) ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-3-13(2)25-17(21)11-18-10-4-5-16(20)24-12-14-6-8-15(9-7-14)19(22)23/h6-9,13,18H,3,10-12H2,1-2H3