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

Systemtic Name: (2S)-3-[(2R)-butan-2-yl]-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-[(1R)-1-methylpropyl]-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-[(2R)-butan-2-yl]-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-[(2R)-butan-2-yl]-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-[(1R)-1-methylpropyl]-2-(2-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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-3-12(2)20-17(14-9-5-7-11-16(14)21(23)24)19-15-10-6-4-8-13(15)18(20)22/h4-12,17,19H,3H2,1-2H3/t12-,17+/m1/s1