(4-nitrophenyl)methyl (6S,7S)-7-azanyl-3-methyl-8-oxidanylidene-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (6S,7S)-7-azanyl-3-methyl-8-oxidanylidene-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (6S,7S)-7-amino-3-methyl-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S,7S)-7-amino-3-methyl-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (6S,7S)-7-amino-3-methyl-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S,7S)-7-amino-8-keto-3-methyl-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(CO1)C(C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N2[C@H](CO1)[C@@H](C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6/c1-8-13(17-11(7-23-8)12(16)14(17)19)15(20)24-6-9-2-4-10(5-3-9)18(21)22/h2-5,11-12H,6-7,16H2,1H3/t11-,12+/m1/s1