3-aminocarbonyloxy-3-methyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 3-aminocarbonyloxy-3-methyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 3-carbamoyloxy-3-methyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-carbamoyloxy-3-methyl-7-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-carbamoyloxy-3-methyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 3-carbamoyloxy-8-keto-3-methyl-7-[(4-nitrobenzyl)oxycarbonylamino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C17H18N4O9S MolecularWeight: 454.41122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)N

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)N

InChI

InChI=1S/C17H18N4O9S/c1-17(30-15(18)25)7-31-13-10(12(22)20(13)11(17)14(23)24)19-16(26)29-6-8-2-4-9(5-3-8)21(27)28/h2-5,10-11,13H,6-7H2,1H3,(H2,18,25)(H,19,26)(H,23,24)