(2S)-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-benzyl-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-benzyl-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-benzyl-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-1,2-dihydroquinazolin-4-one Formula: C22H19N3O5 MolecularWeight: 405.40336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])[C@H]2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5/c1-30-19-12-15(11-18(20(19)26)25(28)29)21-23-17-10-6-5-9-16(17)22(27)24(21)13-14-7-3-2-4-8-14/h2-12,21,23,26H,13H2,1H3/t21-/m0/s1