(E)-3-(1-carbamimidoyl-4,4-dimethyl-2-oxidanylidene-imidazolidin-1-ium-1-yl)-2-cyano-prop-2-enoate

Systemtic Name: (E)-3-(1-carbamimidoyl-4,4-dimethyl-2-oxidanylidene-imidazolidin-1-ium-1-yl)-2-cyano-prop-2-enoate Openeye Name: (E)-3-(1-carbamimidoyl-4,4-dimethyl-2-oxo-imidazolidin-1-ium-1-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-carbamimidoyl-4,4-dimethyl-2-oxo-1-imidazolidin-1-iumyl)-2-cyano-2-propenoate IUPAC Name: (E)-3-(1-carbamimidoyl-4,4-dimethyl-2-oxoimidazolidin-1-ium-1-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-amidino-2-keto-4,4-dimethyl-imidazolidin-1-ium-1-yl)-2-cyano-acrylate Formula: C10H13N5O3 MolecularWeight: 251.24192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](C(=O)N1)(C=C(C#N)C(=O)[O-])C(=N)N)C

Isomeric SMILES

CC1(C[N+](C(=O)N1)(/C=C(\C#N)/C(=O)[O-])C(=N)N)C

InChI

InChI=1S/C10H13N5O3/c1-10(2)5-15(8(12)13,9(18)14-10)4-6(3-11)7(16)17/h4H,5H2,1-2H3,(H4-,12,13,14,16,17,18)/b6-4+