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

Systemtic Name: (2S)-2-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-1,2-dihydroquinazolin-4-one Formula: C18H17N3O5 MolecularWeight: 355.34468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CCCN1[C@H](NC2=CC=CC=C2C1=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H17N3O5/c1-2-7-20-17(19-13-6-4-3-5-11(13)18(20)22)12-8-15-16(26-10-25-15)9-14(12)21(23)24/h3-6,8-9,17,19H,2,7,10H2,1H3/t17-/m0/s1