7-[(3-nitrophenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid

Systemtic Name: 7-[(3-nitrophenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Openeye Name: 7-[(3-nitrobenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid CAS Name: 7-[[(3-nitrophenyl)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid IUPAC Name: 7-[(3-nitrobenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Traditional Name: 8-keto-7-[(3-nitrobenzoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Formula: C15H11N3O8S MolecularWeight: 393.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C15H11N3O8S/c19-11(6-2-1-3-7(4-6)18(25)26)16-9-12(20)17-10(15(23)24)8(14(21)22)5-27-13(9)17/h1-4,9,13H,5H2,(H,16,19)(H,21,22)(H,23,24)