4-(4-methylphenyl)-6-nitro-1-(oxan-2-ylmethyl)quinazolin-2-one

Systemtic Name: 4-(4-methylphenyl)-6-nitro-1-(oxan-2-ylmethyl)quinazolin-2-one Openeye Name: 6-nitro-4-(p-tolyl)-1-(tetrahydropyran-2-ylmethyl)quinazolin-2-one CAS Name: 4-(4-methylphenyl)-6-nitro-1-(2-oxanylmethyl)-2-quinazolinone IUPAC Name: 4-(4-methylphenyl)-6-nitro-1-(oxan-2-ylmethyl)quinazolin-2-one Traditional Name: 6-nitro-4-(p-tolyl)-1-(tetrahydropyran-2-ylmethyl)quinazolin-2-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)[N+](=O)[O-])CC4CCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)[N+](=O)[O-])CC4CCCCO4

InChI

InChI=1S/C21H21N3O4/c1-14-5-7-15(8-6-14)20-18-12-16(24(26)27)9-10-19(18)23(21(25)22-20)13-17-4-2-3-11-28-17/h5-10,12,17H,2-4,11,13H2,1H3