(4-nitrophenyl)methyl 7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Systemtic Name: (4-nitrophenyl)methyl 7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: (4-nitrophenyl)methyl 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester hydrochloride IUPAC Name: (4-nitrophenyl)methyl 7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: 7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester hydrochloride Formula: C14H14ClN3O5S MolecularWeight: 371.79606

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H13N3O5S.ClH/c15-11-12(18)16-10(5-6-23-13(11)16)14(19)22-7-8-1-3-9(4-2-8)17(20)21;/h1-5,11,13H,6-7,15H2;1H