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

Systemtic Name: propyl N-ethyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)carbamate Openeye Name: propyl N-ethyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)carbamate CAS Name: N-ethyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamic acid propyl ester IUPAC Name: propyl N-ethyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamate Traditional Name: N-ethyl-N-(4-mesyl-2,6-dinitro-phenyl)carbamic acid propyl ester Formula: C13H17N3O8S MolecularWeight: 375.35438

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)N(CC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)N(CC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O8S/c1-4-6-24-13(17)14(5-2)12-10(15(18)19)7-9(25(3,22)23)8-11(12)16(20)21/h7-8H,4-6H2,1-3H3