methyl 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-benzoate

Systemtic Name: methyl 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-benzoate Openeye Name: methyl 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-benzoate CAS Name: 4-(1,3-benzoxazol-2-ylthio)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-3-nitro-benzoic acid methyl ester Formula: C15H10N2O5S MolecularWeight: 330.3153

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O5S/c1-21-14(18)9-6-7-13(11(8-9)17(19)20)23-15-16-10-4-2-3-5-12(10)22-15/h2-8H,1H3