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

Systemtic Name: 3-methylidene-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 3-methylene-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-methylene-7-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-methylidene-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 8-keto-3-methylene-7-[(4-nitrobenzyl)oxycarbonylamino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CSC2C(C(=O)N2C1C(=O)O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=C1CSC2C(C(=O)N2C1C(=O)O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S/c1-8-7-27-14-11(13(20)18(14)12(8)15(21)22)17-16(23)26-6-9-2-4-10(5-3-9)19(24)25/h2-5,11-12,14H,1,6-7H2,(H,17,23)(H,21,22)