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

Systemtic Name: (4-nitrophenyl)methyl 4-[(2-methoxy-2-oxidanylidene-ethyl)amino]but-2-ynoate Openeye Name: (4-nitrophenyl)methyl 4-[(2-methoxy-2-oxo-ethyl)amino]but-2-ynoate CAS Name: 4-[(2-methoxy-2-oxoethyl)amino]-2-butynoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-ynoate Traditional Name: 4-[(2-keto-2-methoxy-ethyl)amino]but-2-ynoic acid (4-nitrobenzyl) ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c1-21-14(18)9-15-8-2-3-13(17)22-10-11-4-6-12(7-5-11)16(19)20/h4-7,15H,8-10H2,1H3