7-nitro-3-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]quinazolin-4-one

Systemtic Name: 7-nitro-3-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]quinazolin-4-one Openeye Name: 7-nitro-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]quinazolin-4-one CAS Name: 7-nitro-3-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl]-4-quinazolinone IUPAC Name: 7-nitro-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl]-7-nitro-quinazolin-4-one Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6S/c25-19(14-3-6-16(7-4-14)31(29,30)23-9-1-2-10-23)12-22-13-21-18-11-15(24(27)28)5-8-17(18)20(22)26/h3-8,11,13H,1-2,9-10,12H2