3-[[(2E)-2-(methoxyamino)-2-pyrazol-3-ylidene-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[(2E)-2-(methoxyamino)-2-pyrazol-3-ylidene-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[(2E)-2-(methoxyamino)-2-pyrazol-3-ylidene-acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(2E)-2-(methoxyamino)-1-oxo-2-(3-pyrazolylidene)ethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[(2E)-2-(methoxyamino)-2-pyrazol-3-ylideneacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 2-keto-3-[[(2E)-2-(methoxyamino)-2-pyrazol-3-ylidene-acetyl]amino]-4-methyl-azetidine-1-sulfonic acid Formula: C10H13N5O6S MolecularWeight: 331.30512

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=C2C=CN=N2)NOC

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=C\2/C=CN=N2)/NOC

InChI

InChI=1S/C10H13N5O6S/c1-5-7(10(17)15(5)22(18,19)20)12-9(16)8(14-21-2)6-3-4-11-13-6/h3-5,7,14H,1-2H3,(H,12,16)(H,18,19,20)/b8-6+