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

Systemtic Name: (4-nitrophenyl)methyl 7-azanyl-4-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: (4-nitrophenyl)methyl 7-amino-4-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: 7-amino-4-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-4-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: 7-amino-8-keto-4-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:

COC1C=C(N2C(S1)C(C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

COC1C=C(N2C(S1)C(C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

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