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

Systemtic Name: (2S)-2-(4-bromanyl-3-nitro-phenyl)-3-[(2S)-butan-2-yl]-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-bromo-3-nitro-phenyl)-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-bromo-3-nitrophenyl)-3-[(2S)-butan-2-yl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-bromo-3-nitrophenyl)-3-[(2S)-butan-2-yl]-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-bromo-3-nitro-phenyl)-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-4-one Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3/c1-3-11(2)21-17(12-8-9-14(19)16(10-12)22(24)25)20-15-7-5-4-6-13(15)18(21)23/h4-11,17,20H,3H2,1-2H3/t11-,17-/m0/s1