[4-(4-bromanyl-2-carbonochloridoyl-phenyl)sulfanyl-3-nitro-phenyl]methyl ethanoate

Systemtic Name: [4-(4-bromanyl-2-carbonochloridoyl-phenyl)sulfanyl-3-nitro-phenyl]methyl ethanoate Openeye Name: [4-(4-bromo-2-chlorocarbonyl-phenyl)sulfanyl-3-nitro-phenyl]methyl acetate CAS Name: acetic acid [4-[(4-bromo-2-carbonochloridoylphenyl)thio]-3-nitrophenyl]methyl ester IUPAC Name: [4-(4-bromo-2-carbonochloridoylphenyl)sulfanyl-3-nitrophenyl]methyl acetate Traditional Name: acetic acid [4-[(4-bromo-2-chlorocarbonyl-phenyl)thio]-3-nitro-benzyl] ester Formula: C16H11BrClNO5S MolecularWeight: 444.68424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(=C(C=C1)SC2=C(C=C(C=C2)Br)C(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=CC(=C(C=C1)SC2=C(C=C(C=C2)Br)C(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrClNO5S/c1-9(20)24-8-10-2-4-15(13(6-10)19(22)23)25-14-5-3-11(17)7-12(14)16(18)21/h2-7H,8H2,1H3