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

Systemtic Name: 3-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-7-nitro-quinazolin-4-one CAS Name: 3-[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-7-nitroquinazolin-4-one Traditional Name: 3-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-7-nitro-quinazolin-4-one Formula: C22H17BrN4O4 MolecularWeight: 481.29878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN4O4/c1-13-9-19(14(2)26(13)16-5-3-15(23)4-6-16)21(28)11-25-12-24-20-10-17(27(30)31)7-8-18(20)22(25)29/h3-10,12H,11H2,1-2H3