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

Systemtic Name: 3-[2-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-6-nitro-quinazolin-4-one Formula: C23H19BrN4O4 MolecularWeight: 495.32536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN4O4/c1-13-8-16(4-6-20(13)24)27-14(2)9-18(15(27)3)22(29)11-26-12-25-21-7-5-17(28(31)32)10-19(21)23(26)30/h4-10,12H,11H2,1-3H3