(methoxycarbonylamino)methyl N-(2-nitro-4-propoxy-phenyl)methanimidothioate

Systemtic Name: (methoxycarbonylamino)methyl N-(2-nitro-4-propoxy-phenyl)methanimidothioate Openeye Name: (methoxycarbonylamino)methyl N-(2-nitro-4-propoxy-phenyl)methanimidothioate CAS Name: N-(2-nitro-4-propoxyphenyl)methanimidothioic acid (methoxycarbonylamino)methyl ester IUPAC Name: (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate Traditional Name: N-(2-nitro-4-propoxy-phenyl)thioformimidic acid (carbomethoxyamino)methyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)N=CSCNC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC(=C(C=C1)N=CSCNC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-3-6-21-10-4-5-11(12(7-10)16(18)19)14-8-22-9-15-13(17)20-2/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,17)