methyl (E)-2,5-bis(azanyl)-2-ethynyl-pent-3-enoate

Systemtic Name: methyl (E)-2,5-bis(azanyl)-2-ethynyl-pent-3-enoate Openeye Name: methyl (E)-2,5-diamino-2-ethynyl-pent-3-enoate CAS Name: (E)-2,5-diamino-2-ethynyl-3-pentenoic acid methyl ester IUPAC Name: methyl (E)-2,5-diamino-2-ethynylpent-3-enoate Traditional Name: (E)-2,5-diamino-2-ethynyl-pent-3-enoic acid methyl ester Formula: C8H12N2O2 MolecularWeight: 168.19308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=CCN)(C#C)N

Isomeric SMILES

COC(=O)C(/C=C/CN)(C#C)N

InChI

InChI=1S/C8H12N2O2/c1-3-8(10,5-4-6-9)7(11)12-2/h1,4-5H,6,9-10H2,2H3/b5-4+