methyl N-[2-(2-bromophenyl)sulfanyl-3,5-dinitro-phenyl]carbamate

Systemtic Name: methyl N-[2-(2-bromophenyl)sulfanyl-3,5-dinitro-phenyl]carbamate Openeye Name: methyl N-[2-(2-bromophenyl)sulfanyl-3,5-dinitro-phenyl]carbamate CAS Name: N-[2-[(2-bromophenyl)thio]-3,5-dinitrophenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(2-bromophenyl)sulfanyl-3,5-dinitrophenyl]carbamate Traditional Name: N-[2-[(2-bromophenyl)thio]-3,5-dinitro-phenyl]carbamic acid methyl ester Formula: C14H10BrN3O6S MolecularWeight: 428.2147

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC(=CC(=C1SC2=CC=CC=C2Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC1=CC(=CC(=C1SC2=CC=CC=C2Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10BrN3O6S/c1-24-14(19)16-10-6-8(17(20)21)7-11(18(22)23)13(10)25-12-5-3-2-4-9(12)15/h2-7H,1H3,(H,16,19)