N-[7-nitro-2,4-bis(oxidanylidene)-6-pyrrol-1-yl-1H-quinazolin-3-yl]methanesulfonamide

Systemtic Name: N-[7-nitro-2,4-bis(oxidanylidene)-6-pyrrol-1-yl-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-(7-nitro-2,4-dioxo-6-pyrrol-1-yl-1H-quinazolin-3-yl)methanesulfonamide CAS Name: N-[7-nitro-2,4-dioxo-6-(1-pyrrolyl)-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-(7-nitro-2,4-dioxo-6-pyrrol-1-yl-1H-quinazolin-3-yl)methanesulfonamide Traditional Name: N-(2,4-diketo-7-nitro-6-pyrrol-1-yl-1H-quinazolin-3-yl)methanesulfonamide Formula: C13H11N5O6S MolecularWeight: 365.32134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N3C=CC=C3

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N3C=CC=C3

InChI

InChI=1S/C13H11N5O6S/c1-25(23,24)15-17-12(19)8-6-10(16-4-2-3-5-16)11(18(21)22)7-9(8)14-13(17)20/h2-7,15H,1H3,(H,14,20)