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

Systemtic Name: 6-nitro-1-(oxan-2-ylmethyl)-4-phenyl-quinazolin-2-one Openeye Name: 6-nitro-4-phenyl-1-(tetrahydropyran-2-ylmethyl)quinazolin-2-one CAS Name: 6-nitro-1-(2-oxanylmethyl)-4-phenyl-2-quinazolinone IUPAC Name: 6-nitro-1-(oxan-2-ylmethyl)-4-phenylquinazolin-2-one Traditional Name: 6-nitro-4-phenyl-1-(tetrahydropyran-2-ylmethyl)quinazolin-2-one Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O4/c24-20-21-19(14-6-2-1-3-7-14)17-12-15(23(25)26)9-10-18(17)22(20)13-16-8-4-5-11-27-16/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2