methyl N-(2,6-dinitro-4-propylsulfanyl-phenyl)carbamate

Systemtic Name: methyl N-(2,6-dinitro-4-propylsulfanyl-phenyl)carbamate Openeye Name: methyl N-(2,6-dinitro-4-propylsulfanyl-phenyl)carbamate CAS Name: N-[2,6-dinitro-4-(propylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-(2,6-dinitro-4-propylsulfanylphenyl)carbamate Traditional Name: N-[2,6-dinitro-4-(propylthio)phenyl]carbamic acid methyl ester Formula: C11H13N3O6S MolecularWeight: 315.30242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O6S/c1-3-4-21-7-5-8(13(16)17)10(12-11(15)20-2)9(6-7)14(18)19/h5-6H,3-4H2,1-2H3,(H,12,15)