(2S)-3-[(2S)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-[(2S)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-[(1S)-1-methylpropyl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-[(2S)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-[(2S)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-[(1S)-1-methylpropyl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-3-12(2)20-17(13-8-10-14(11-9-13)21(23)24)19-16-7-5-4-6-15(16)18(20)22/h4-12,17,19H,3H2,1-2H3/t12-,17-/m0/s1