sodium 3-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-2-(methoxycarbamoyl)-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-2-(methoxycarbamoyl)-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[1,1-dimethyl-2-[(4-nitrophenyl)methoxy]-2-oxo-ethoxy]imino-acetyl]amino]-2-(methoxycarbamoyl)-4-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-2-[(methoxyamino)-oxomethyl]-4-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-(methoxycarbamoyl)-4-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[2-keto-1,1-dimethyl-2-(4-nitrobenzyl)oxy-ethyl]oximino-acetyl]amino]-2-keto-4-(methoxycarbamoyl)azetidine-1-sulfonate Formula: C21H22N7NaO12S2 MolecularWeight: 651.55885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])ON=C(C2=CSC(=N2)N)C(=O)NC3C(N(C3=O)S(=O)(=O)[O-])C(=O)NOC.[Na+]

Isomeric SMILES

CC(C)(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])O/N=C(/C2=CSC(=N2)N)\C(=O)NC3C(N(C3=O)S(=O)(=O)[O-])C(=O)NOC.[Na+]

InChI

InChI=1S/C21H23N7O12S2.Na/c1-21(2,19(32)39-8-10-4-6-11(7-5-10)28(33)34)40-25-13(12-9-41-20(22)23-12)16(29)24-14-15(17(30)26-38-3)27(18(14)31)42(35,36)37;/h4-7,9,14-15H,8H2,1-3H3,(H2,22,23)(H,24,29)(H,26,30)(H,35,36,37);/q;+1/p-1/b25-13-;