butyl N-[2-[4-[(6-nitro-4-oxidanylidene-2-propyl-quinazolin-3-yl)methyl]phenyl]phenyl]sulfonylcarbamate

Systemtic Name: butyl N-[2-[4-[(6-nitro-4-oxidanylidene-2-propyl-quinazolin-3-yl)methyl]phenyl]phenyl]sulfonylcarbamate Openeye Name: butyl N-[2-[4-[(6-nitro-4-oxo-2-propyl-quinazolin-3-yl)methyl]phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[(6-nitro-4-oxo-2-propyl-3-quinazolinyl)methyl]phenyl]phenyl]sulfonylcarbamic acid butyl ester IUPAC Name: butyl N-[2-[4-[(6-nitro-4-oxo-2-propylquinazolin-3-yl)methyl]phenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[(4-keto-6-nitro-2-propyl-quinazolin-3-yl)methyl]phenyl]phenyl]sulfonylcarbamic acid butyl ester Formula: C29H30N4O7S MolecularWeight: 578.6361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])CCC

Isomeric SMILES

CCCCOC(=O)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])CCC

InChI

InChI=1S/C29H30N4O7S/c1-3-5-17-40-29(35)31-41(38,39)26-10-7-6-9-23(26)21-13-11-20(12-14-21)19-32-27(8-4-2)30-25-16-15-22(33(36)37)18-24(25)28(32)34/h6-7,9-16,18H,3-5,8,17,19H2,1-2H3,(H,31,35)