methyl N-[2,4-dinitro-6-(phenylmethyl)sulfonyl-phenyl]carbamate

Systemtic Name: methyl N-[2,4-dinitro-6-(phenylmethyl)sulfonyl-phenyl]carbamate Openeye Name: methyl N-(2-benzylsulfonyl-4,6-dinitro-phenyl)carbamate CAS Name: N-[2,4-dinitro-6-(phenylmethyl)sulfonylphenyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-benzylsulfonyl-4,6-dinitrophenyl)carbamate Traditional Name: N-(2-benzylsulfonyl-4,6-dinitro-phenyl)carbamic acid methyl ester Formula: C15H13N3O8S MolecularWeight: 395.34402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=C(C=C1S(=O)(=O)CC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC1=C(C=C(C=C1S(=O)(=O)CC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O8S/c1-26-15(19)16-14-12(18(22)23)7-11(17(20)21)8-13(14)27(24,25)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,19)