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

Systemtic Name: [4-[4-bromanyl-2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitro-phenyl]methyl ethanoate Openeye Name: [4-[4-bromo-2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitro-phenyl]methyl acetate CAS Name: acetic acid [4-[[4-bromo-2-[dimethylamino(oxo)methyl]phenyl]thio]-3-nitrophenyl]methyl ester IUPAC Name: [4-[4-bromo-2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitrophenyl]methyl acetate Traditional Name: acetic acid [4-[[4-bromo-2-(dimethylcarbamoyl)phenyl]thio]-3-nitro-benzyl] ester Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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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)N(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O5S/c1-11(22)26-10-12-4-6-17(15(8-12)21(24)25)27-16-7-5-13(19)9-14(16)18(23)20(2)3/h4-9H,10H2,1-3H3