(2S)-2-(4-bromanyl-3-nitro-phenyl)-3-propyl-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(4-bromanyl-3-nitro-phenyl)-3-propyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-bromo-3-nitro-phenyl)-3-propyl-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-bromo-3-nitrophenyl)-3-propyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-bromo-3-nitrophenyl)-3-propyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-bromo-3-nitro-phenyl)-3-propyl-1,2-dihydroquinazolin-4-one Formula: C17H16BrN3O3 MolecularWeight: 390.23124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCCN1[C@H](NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O3/c1-2-9-20-16(11-7-8-13(18)15(10-11)21(23)24)19-14-6-4-3-5-12(14)17(20)22/h3-8,10,16,19H,2,9H2,1H3/t16-/m0/s1