(2S)-3-[(2S)-butan-2-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-[(2S)-butan-2-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-[(1S)-1-methylpropyl]-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-[(2S)-butan-2-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-[(2S)-butan-2-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-[(1S)-1-methylpropyl]-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(NC2=CC=CC=C2C1=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC[C@H](C)N1[C@H](NC2=CC=CC=C2C1=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H19N3O5/c1-3-11(2)21-18(20-14-7-5-4-6-12(14)19(21)23)13-8-16-17(27-10-26-16)9-15(13)22(24)25/h4-9,11,18,20H,3,10H2,1-2H3/t11-,18-/m0/s1