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

Systemtic Name: (2S)-3-[(4-methylphenyl)methyl]-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(6-nitro-1,3-benzodioxol-5-yl)-3-(p-tolylmethyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-[(4-methylphenyl)methyl]-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-[(4-methylphenyl)methyl]-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-(4-methylbenzyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CN2[C@H](NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C23H19N3O5/c1-14-6-8-15(9-7-14)12-25-22(24-18-5-3-2-4-16(18)23(25)27)17-10-20-21(31-13-30-20)11-19(17)26(28)29/h2-11,22,24H,12-13H2,1H3/t22-/m0/s1