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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5/c1-13-6-5-7-15(10-13)24-21(23-17-9-4-3-8-16(17)22(24)27)14-11-18(25(28)29)20(26)19(12-14)30-2/h3-12,21,23,26H,1-2H3/t21-/m0/s1