4-methylbenzene-1,3-dicarboxamide; 5-phenyl-3H-1,3,4-oxadiazol-2-one

Systemtic Name: 4-methylbenzene-1,3-dicarboxamide; 5-phenyl-3H-1,3,4-oxadiazol-2-one Openeye Name: 4-methylbenzene-1,3-dicarboxamide; 5-phenyl-3H-1,3,4-oxadiazol-2-one CAS Name: 4-methylbenzene-1,3-dicarboxamide; 5-phenyl-3H-1,3,4-oxadiazol-2-one IUPAC Name: 4-methylbenzene-1,3-dicarboxamide; 5-phenyl-3H-1,3,4-oxadiazol-2-one Traditional Name: 4-methylisophthalamide; 5-phenyl-3H-1,3,4-oxadiazol-2-one Formula: C25H22N6O6 MolecularWeight: 502.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N)C(=O)N.C1=CC=C(C=C1)C2=NNC(=O)O2.C1=CC=C(C=C1)C2=NNC(=O)O2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N)C(=O)N.C1=CC=C(C=C1)C2=NNC(=O)O2.C1=CC=C(C=C1)C2=NNC(=O)O2

InChI

InChI=1S/C9H10N2O2.2C8H6N2O2/c1-5-2-3-6(8(10)12)4-7(5)9(11)13;2*11-8-10-9-7(12-8)6-4-2-1-3-5-6/h2-4H,1H3,(H2,10,12)(H2,11,13);2*1-5H,(H,10,11)