methyl 2-[4-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(1H-benzimidazol-2-ylthio)-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1H-benzimidazol-2-ylsulfanyl)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(1H-benzimidazol-2-ylthio)-3-nitro-benzoyl]benzoic acid methyl ester Formula: C22H15N3O5S MolecularWeight: 433.4366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O5S/c1-30-21(27)15-7-3-2-6-14(15)20(26)13-10-11-19(18(12-13)25(28)29)31-22-23-16-8-4-5-9-17(16)24-22/h2-12H,1H3,(H,23,24)