methyl (E)-3-azido-2-cyano-3-(3-oxidanylpropylamino)prop-2-enoate

Systemtic Name: methyl (E)-3-azido-2-cyano-3-(3-oxidanylpropylamino)prop-2-enoate Openeye Name: methyl (E)-3-azido-2-cyano-3-(3-hydroxypropylamino)prop-2-enoate CAS Name: (E)-3-azido-2-cyano-3-(3-hydroxypropylamino)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-azido-2-cyano-3-(3-hydroxypropylamino)prop-2-enoate Traditional Name: (E)-3-azido-2-cyano-3-(3-hydroxypropylamino)acrylic acid methyl ester Formula: C8H11N5O3 MolecularWeight: 225.20464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NCCCO)N=[N+]=[N-])C#N

Isomeric SMILES

COC(=O)/C(=C(\NCCCO)/N=[N+]=[N-])/C#N

InChI

InChI=1S/C8H11N5O3/c1-16-8(15)6(5-9)7(12-13-10)11-3-2-4-14/h11,14H,2-4H2,1H3/b7-6+