ethyl 4-[2-(5-nitro-2-phenylsulfanyl-phenyl)carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(5-nitro-2-phenylsulfanyl-phenyl)carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(5-nitro-2-phenylsulfanyl-benzoyl)oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[5-nitro-2-(phenylthio)phenyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-nitro-2-phenylsulfanylbenzoyl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-nitro-2-(phenylthio)benzoyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H23N3O7S MolecularWeight: 473.49892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O7S/c1-2-31-22(28)24-12-10-23(11-13-24)20(26)15-32-21(27)18-14-16(25(29)30)8-9-19(18)33-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3