3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]-6-nitro-quinazolin-4-one Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4/c1-14-10-18(15(2)25(14)16-6-4-3-5-7-16)21(27)12-24-13-23-20-9-8-17(26(29)30)11-19(20)22(24)28/h3-11,13H,12H2,1-2H3