ethyl N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)carbamate

Systemtic Name: ethyl N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)carbamate Openeye Name: ethyl N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)carbamate CAS Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamic acid ethyl ester IUPAC Name: ethyl N-butyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamate Traditional Name: N-butyl-N-(4-mesyl-2,6-dinitro-phenyl)carbamic acid ethyl ester Formula: C14H19N3O8S MolecularWeight: 389.38096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCN(C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C14H19N3O8S/c1-4-6-7-15(14(18)25-5-2)13-11(16(19)20)8-10(26(3,23)24)9-12(13)17(21)22/h8-9H,4-7H2,1-3H3