[4-[3-[3-chloranyl-2-(4-nitrophenyl)-4-oxidanylidene-azetidin-1-yl]-4-oxidanylidene-quinazolin-2-yl]phenyl] benzenesulfonate

Systemtic Name: [4-[3-[3-chloranyl-2-(4-nitrophenyl)-4-oxidanylidene-azetidin-1-yl]-4-oxidanylidene-quinazolin-2-yl]phenyl] benzenesulfonate Openeye Name: [4-[3-[3-chloro-2-(4-nitrophenyl)-4-oxo-azetidin-1-yl]-4-oxo-quinazolin-2-yl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[3-[3-chloro-2-(4-nitrophenyl)-4-oxo-1-azetidinyl]-4-oxo-2-quinazolinyl]phenyl] ester IUPAC Name: [4-[3-[3-chloro-2-(4-nitrophenyl)-4-oxoazetidin-1-yl]-4-oxoquinazolin-2-yl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[3-[3-chloro-2-keto-4-(4-nitrophenyl)azetidin-1-yl]-4-keto-quinazolin-2-yl]phenyl] ester Formula: C29H19ClN4O7S MolecularWeight: 603.00176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3N5C(C(C5=O)Cl)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3N5C(C(C5=O)Cl)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H19ClN4O7S/c30-25-26(18-10-14-20(15-11-18)34(37)38)32(29(25)36)33-27(31-24-9-5-4-8-23(24)28(33)35)19-12-16-21(17-13-19)41-42(39,40)22-6-2-1-3-7-22/h1-17,25-26H