3-methyl-7-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylamino]-N-(2-methylpropyl)-8-oxidanylidene-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]-N-(2-methylpropyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide Openeye Name: N-isobutyl-3-methyl-7-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]-8-oxo-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]-N-(2-methylpropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide IUPAC Name: 3-methyl-7-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-N-(2-methylpropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide Traditional Name: N-isobutyl-8-keto-3-methyl-7-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide Formula: C17H22N6O5S MolecularWeight: 422.45878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3[N+](=O)[O-])C)SC1)C(=O)NCC(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3[N+](=O)[O-])C)SC1)C(=O)NCC(C)C

InChI

InChI=1S/C17H22N6O5S/c1-8(2)5-18-15(25)13-9(3)7-29-17-12(16(26)22(13)17)19-14(24)11-10(23(27)28)6-21(4)20-11/h6,8,12,17H,5,7H2,1-4H3,(H,18,25)(H,19,24)