2-[[(2E)-3-ethoxy-2-ethoxyimino-3-oxidanylidene-propanoyl]-(2-methyl-5-nitro-imidazol-1-yl)amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 2-[[(2E)-3-ethoxy-2-ethoxyimino-3-oxidanylidene-propanoyl]-(2-methyl-5-nitro-imidazol-1-yl)amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 2-[[(2E)-3-ethoxy-2-ethoxyimino-3-oxo-propanoyl]-(2-methyl-5-nitro-imidazol-1-yl)amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 2-[[(2E)-3-ethoxy-2-ethoxyimino-1,3-dioxopropyl]-(2-methyl-5-nitro-1-imidazolyl)amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 2-[[(2E)-3-ethoxy-2-ethoxyimino-3-oxopropanoyl]-(2-methyl-5-nitroimidazol-1-yl)amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 2-[[(2E)-3-ethoxy-2-ethyloximino-3-keto-propanoyl]-(2-methyl-5-nitro-imidazol-1-yl)amino]-4-keto-2-methyl-azetidine-1-sulfonic acid Formula: C15H20N6O10S MolecularWeight: 476.4185

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NOCC)C(=O)N(C1(CC(=O)N1S(=O)(=O)O)C)N2C(=NC=C2[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)/C(=N/OCC)/C(=O)N(C1(CC(=O)N1S(=O)(=O)O)C)N2C(=NC=C2[N+](=O)[O-])C

InChI

InChI=1S/C15H20N6O10S/c1-5-30-14(24)12(17-31-6-2)13(23)19(18-9(3)16-8-10(18)21(25)26)15(4)7-11(22)20(15)32(27,28)29/h8H,5-7H2,1-4H3,(H,27,28,29)/b17-12+