(4-nitrophenyl)methyl 7-azanyl-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Systemtic Name: (4-nitrophenyl)methyl 7-azanyl-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: (4-nitrophenyl)methyl 7-amino-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: 7-amino-3-methoxy-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-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: 7-amino-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester hydrochloride Formula: C15H16ClN3O6S MolecularWeight: 401.82204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H15N3O6S.ClH/c1-23-10-7-25-14-11(16)13(19)17(14)12(10)15(20)24-6-8-2-4-9(5-3-8)18(21)22;/h2-5,11,14H,6-7,16H2,1H3;1H