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(4-nitrophenyl)methyl 7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate

(4-nitrophenyl)methyl 7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate

Systemtic Name:(4-nitrophenyl)methyl 7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate
Openeye Name:(4-nitrophenyl)methyl 7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate
CAS Name:7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid (4-nitrophenyl)methyl ester
IUPAC Name:(4-nitrophenyl)methyl 7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate
Traditional Name:7-keto-6-[(2-phenylacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid (4-nitrobenzyl) ester
Formula: C21H20N3O6S+
MolecularWeight: 442.465
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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2[N+]1(C(=O)C2NC(=O)CC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]


Isomeric SMILES

C1CSC2[N+]1(C(=O)C2NC(=O)CC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]


InChI

InChI=1S/C21H19N3O6S/c25-17(12-14-4-2-1-3-5-14)22-18-19(26)24(10-11-31-20(18)24)21(27)30-13-15-6-8-16(9-7-15)23(28)29/h1-9,18,20H,10-13H2/p+1


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