3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-nitro-quinazolin-4-one Openeye Name: 6-nitro-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one CAS Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-nitroquinazolin-4-one Traditional Name: 6-nitro-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one Formula: C18H13N5O4 MolecularWeight: 363.32692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4/c1-11-2-4-12(5-3-11)17-20-16(27-21-17)9-22-10-19-15-7-6-13(23(25)26)8-14(15)18(22)24/h2-8,10H,9H2,1H3