methyl (5S,6R)-6-(2-azidoethoxy)-5-methyl-6-(2-nitrophenyl)hex-3-ynoate

Systemtic Name: methyl (5S,6R)-6-(2-azidoethoxy)-5-methyl-6-(2-nitrophenyl)hex-3-ynoate Openeye Name: methyl (5S,6R)-6-(2-azidoethoxy)-5-methyl-6-(2-nitrophenyl)hex-3-ynoate CAS Name: (5S,6R)-6-(2-azidoethoxy)-5-methyl-6-(2-nitrophenyl)-3-hexynoic acid methyl ester IUPAC Name: methyl (5S,6R)-6-(2-azidoethoxy)-5-methyl-6-(2-nitrophenyl)hex-3-ynoate Traditional Name: (5S,6R)-6-(2-azidoethoxy)-5-methyl-6-(2-nitrophenyl)hex-3-ynoic acid methyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C#CCC(=O)OC)[C@H](C1=CC=CC=C1[N+](=O)[O-])OCCN=[N+]=[N-]

InChI

InChI=1S/C16H18N4O5/c1-12(6-5-9-15(21)24-2)16(25-11-10-18-19-17)13-7-3-4-8-14(13)20(22)23/h3-4,7-8,12,16H,9-11H2,1-2H3/t12-,16+/m0/s1