3-(4-methylphenyl)sulfonyl-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-6-nitro-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-(p-tolylsulfonyl)-1,3-benzoxazol-2-one CAS Name: 3-(4-methylphenyl)sulfonyl-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-(4-methylphenyl)sulfonyl-6-nitro-1,3-benzoxazol-2-one Traditional Name: 6-nitro-3-tosyl-1,3-benzoxazol-2-one Formula: C14H10N2O6S MolecularWeight: 334.304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C14H10N2O6S/c1-9-2-5-11(6-3-9)23(20,21)15-12-7-4-10(16(18)19)8-13(12)22-14(15)17/h2-8H,1H3