(2S)-3-[(2S)-butan-2-yl]-2-(4-methyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-[(2S)-butan-2-yl]-2-(4-methyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-methyl-3-nitro-phenyl)-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-[(2S)-butan-2-yl]-2-(4-methyl-3-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-[(2S)-butan-2-yl]-2-(4-methyl-3-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-methyl-3-nitro-phenyl)-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-4-one Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)N1[C@H](NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c1-4-13(3)21-18(14-10-9-12(2)17(11-14)22(24)25)20-16-8-6-5-7-15(16)19(21)23/h5-11,13,18,20H,4H2,1-3H3/t13-,18-/m0/s1