tert-butyl N-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N-(N'-methyl-N-nitro-carbamimidoyl)carbamate

Systemtic Name: tert-butyl N-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N-(N'-methyl-N-nitro-carbamimidoyl)carbamate Openeye Name: tert-butyl N-[(2-chlorothiazol-5-yl)methyl]-N-(N'-methyl-N-nitro-carbamimidoyl)carbamate CAS Name: N-[(2-chloro-5-thiazolyl)methyl]-N-[methylimino(nitramido)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(N'-methyl-N-nitrocarbamimidoyl)carbamate Traditional Name: N-[(2-chlorothiazol-5-yl)methyl]-N-(N'-methyl-N-nitro-amidino)carbamic acid tert-butyl ester Formula: C11H16ClN5O4S MolecularWeight: 349.79384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CN=C(S1)Cl)C(=NC)N[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CN=C(S1)Cl)C(=NC)N[N+](=O)[O-]

InChI

InChI=1S/C11H16ClN5O4S/c1-11(2,3)21-10(18)16(9(13-4)15-17(19)20)6-7-5-14-8(12)22-7/h5H,6H2,1-4H3,(H,13,15)