[2-[(E)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [2-[(E)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [2-[(E)-(2-methyl-4-oxo-quinazolin-3-yl)iminomethyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-[(E)-(2-methyl-4-oxo-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-[(E)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-[(E)-(4-keto-2-methyl-quinazolin-3-yl)iminomethyl]phenyl] ester Formula: C22H16N4O6S MolecularWeight: 464.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CC=C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC=CC=C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O6S/c1-15-24-20-8-4-3-7-19(20)22(27)25(15)23-14-16-6-2-5-9-21(16)32-33(30,31)18-12-10-17(11-13-18)26(28)29/h2-14H,1H3/b23-14+