7-[(2-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-ethyl-4-nitro-pyrazole-3-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2-ethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-ethyl-4-nitropyrazole-3-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-ethyl-4-nitro-pyrazole-3-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H15N5O6S MolecularWeight: 381.3638

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O

InChI

InChI=1S/C14H15N5O6S/c1-3-17-10(7(4-15-17)19(24)25)11(20)16-8-12(21)18-9(14(22)23)6(2)5-26-13(8)18/h4,8,13H,3,5H2,1-2H3,(H,16,20)(H,22,23)