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

Systemtic Name: (2S)-3-cyclopropyl-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-cyclopropyl-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-cyclopropyl-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-cyclopropyl-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-cyclopropyl-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Formula: C18H15N3O5 MolecularWeight: 353.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1CC1N2[C@H](NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C18H15N3O5/c22-18-11-3-1-2-4-13(11)19-17(20(18)10-5-6-10)12-7-15-16(26-9-25-15)8-14(12)21(23)24/h1-4,7-8,10,17,19H,5-6,9H2/t17-/m0/s1