(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O5S/c1-12-16(13(2)26-20-12)11-25-19(22)14-8-9-18(17(10-14)21(23)24)27-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3