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

Systemtic Name: 3-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-6-nitro-quinazolin-4-one Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4/c1-15-10-19(16(2)26(15)12-17-6-4-3-5-7-17)22(28)13-25-14-24-21-9-8-18(27(30)31)11-20(21)23(25)29/h3-11,14H,12-13H2,1-2H3