(2S)-2-(5-methoxy-2-nitro-4-oxidanyl-phenyl)-3-[(4-methylphenyl)methyl]-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(5-methoxy-2-nitro-4-oxidanyl-phenyl)-3-[(4-methylphenyl)methyl]-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-hydroxy-5-methoxy-2-nitro-phenyl)-3-(p-tolylmethyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-hydroxy-5-methoxy-2-nitrophenyl)-3-[(4-methylphenyl)methyl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-hydroxy-5-methoxy-2-nitrophenyl)-3-[(4-methylphenyl)methyl]-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-hydroxy-5-methoxy-2-nitro-phenyl)-3-(4-methylbenzyl)-1,2-dihydroquinazolin-4-one Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4[N+](=O)[O-])O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4[N+](=O)[O-])O)OC

InChI

InChI=1S/C23H21N3O5/c1-14-7-9-15(10-8-14)13-25-22(24-18-6-4-3-5-16(18)23(25)28)17-11-21(31-2)20(27)12-19(17)26(29)30/h3-12,22,24,27H,13H2,1-2H3/t22-/m0/s1