3-methyl-7-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylamino]-8-oxidanylidene-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide

Systemtic Name: 3-methyl-7-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylamino]-8-oxidanylidene-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide Openeye Name: 3-methyl-7-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]-8-oxo-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide CAS Name: 3-methyl-7-[[(1-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-8-oxo-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide IUPAC Name: 3-methyl-7-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-8-oxo-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide Traditional Name: 8-keto-3-methyl-7-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide Formula: C16H20N6O5S MolecularWeight: 408.4322

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C3=NN(C=C3[N+](=O)[O-])C)C

Isomeric SMILES

CCCNC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C3=NN(C=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C16H20N6O5S/c1-4-5-17-14(24)12-8(2)7-28-16-11(15(25)21(12)16)18-13(23)10-9(22(26)27)6-20(3)19-10/h6,11,16H,4-5,7H2,1-3H3,(H,17,24)(H,18,23)