tert-butyl 4-[[2-[(2-nitrophenyl)methoxy]-2-oxidanylidene-ethyl]amino]but-2-ynoate

Systemtic Name: tert-butyl 4-[[2-[(2-nitrophenyl)methoxy]-2-oxidanylidene-ethyl]amino]but-2-ynoate Openeye Name: tert-butyl 4-[[2-[(2-nitrophenyl)methoxy]-2-oxo-ethyl]amino]but-2-ynoate CAS Name: 4-[[2-[(2-nitrophenyl)methoxy]-2-oxoethyl]amino]-2-butynoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(2-nitrophenyl)methoxy]-2-oxoethyl]amino]but-2-ynoate Traditional Name: 4-[[2-keto-2-(2-nitrobenzyl)oxy-ethyl]amino]but-2-ynoic acid tert-butyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-17(2,3)25-15(20)9-6-10-18-11-16(21)24-12-13-7-4-5-8-14(13)19(22)23/h4-5,7-8,18H,10-12H2,1-3H3