3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-7-nitro-quinazolin-4-one CAS Name: 3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-7-nitroquinazolin-4-one Traditional Name: 3-[2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethyl]-7-nitro-quinazolin-4-one Formula: C24H20N4O6 MolecularWeight: 460.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4C=NC5=C(C4=O)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4C=NC5=C(C4=O)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O6/c1-14-7-19(15(2)27(14)10-16-3-6-22-23(8-16)34-13-33-22)21(29)11-26-12-25-20-9-17(28(31)32)4-5-18(20)24(26)30/h3-9,12H,10-11,13H2,1-2H3