methyl (NZ)-N-[azanyl-[(2-nitro-5-propylsulfanyl-phenyl)amino]methylidene]carbamate

Systemtic Name: methyl (NZ)-N-[azanyl-[(2-nitro-5-propylsulfanyl-phenyl)amino]methylidene]carbamate Openeye Name: methyl (NZ)-N-[amino-(2-nitro-5-propylsulfanyl-anilino)methylene]carbamate CAS Name: (NZ)-N-[amino-[2-nitro-5-(propylthio)anilino]methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[amino-(2-nitro-5-propylsulfanylanilino)methylidene]carbamate Traditional Name: (NZ)-N-[amino-[2-nitro-5-(propylthio)anilino]methylene]carbamic acid methyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=NC(=O)OC)N

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N/C(=N\C(=O)OC)/N

InChI

InChI=1S/C12H16N4O4S/c1-3-6-21-8-4-5-10(16(18)19)9(7-8)14-11(13)15-12(17)20-2/h4-5,7H,3,6H2,1-2H3,(H3,13,14,15,17)