[2-methoxy-4-[(Z)-(4-oxidanylidenequinazolin-3-yl)iminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-(4-oxidanylidenequinazolin-3-yl)iminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-(4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(Z)-(4-oxo-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(Z)-(4-ketoquinazolin-3-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C23H18N4O7S MolecularWeight: 494.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C=NC4=CC=CC=C4C3=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N\N3C=NC4=CC=CC=C4C3=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O7S/c1-15-7-9-17(12-20(15)27(29)30)35(31,32)34-21-10-8-16(11-22(21)33-2)13-25-26-14-24-19-6-4-3-5-18(19)23(26)28/h3-14H,1-2H3/b25-13-