2,2,2-tris(chloranyl)ethyl 6-bromanyl-6-[(Z)-[chloranyl-(4-nitrophenyl)methylidene]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 6-bromanyl-6-[(Z)-[chloranyl-(4-nitrophenyl)methylidene]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 2,2,2-trichloroethyl 6-bromo-6-[(Z)-[chloro-(4-nitrophenyl)methylene]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-[(Z)-[chloro-(4-nitrophenyl)methylidene]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 6-bromo-6-[(Z)-[chloro-(4-nitrophenyl)methylidene]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-[(Z)-[chloro-(4-nitrophenyl)methylene]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C17H14BrCl4N3O5S MolecularWeight: 594.09116

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(N=C(C3=CC=C(C=C3)[N+](=O)[O-])Cl)Br)C(=O)OCC(Cl)(Cl)Cl)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(/N=C(/C3=CC=C(C=C3)[N+](=O)[O-])\Cl)Br)C(=O)OCC(Cl)(Cl)Cl)C

InChI

InChI=1S/C17H14BrCl4N3O5S/c1-15(2)10(12(26)30-7-16(20,21)22)24-13(27)17(18,14(24)31-15)23-11(19)8-3-5-9(6-4-8)25(28)29/h3-6,10,14H,7H2,1-2H3/b23-11-