(2S)-3-[(2S)-butan-2-yl]-2-(4,5-dimethoxy-2-nitro-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-[(2S)-butan-2-yl]-2-(4,5-dimethoxy-2-nitro-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4,5-dimethoxy-2-nitro-phenyl)-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-[(2S)-butan-2-yl]-2-(4,5-dimethoxy-2-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-[(2S)-butan-2-yl]-2-(4,5-dimethoxy-2-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4,5-dimethoxy-2-nitro-phenyl)-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-4-one Formula: C20H23N3O5 MolecularWeight: 385.41372

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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-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-5-12(2)22-19(21-15-9-7-6-8-13(15)20(22)24)14-10-17(27-3)18(28-4)11-16(14)23(25)26/h6-12,19,21H,5H2,1-4H3/t12-,19-/m0/s1