2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(2E)-2-(nitromethylene)imidazolidin-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(2E)-2-(nitromethylidene)-1-imidazolidinyl]ethyl ester IUPAC Name: 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2E)-2-(nitromethylene)imidazolidin-1-yl]ethyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2CCNC2=C[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN\2CCN/C2=C\[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-11-2-4-12(5-3-11)22(19,20)21-9-8-15-7-6-14-13(15)10-16(17)18/h2-5,10,14H,6-9H2,1H3/b13-10+