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

Systemtic Name: [1-[(E)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]naphthalen-2-yl] 2-nitrobenzenesulfonate Openeye Name: [1-[(E)-(2-methyl-4-oxo-quinazolin-3-yl)iminomethyl]-2-naphthyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [1-[(E)-(2-methyl-4-oxo-3-quinazolinyl)iminomethyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [1-[(E)-(4-keto-2-methyl-quinazolin-3-yl)iminomethyl]-2-naphthyl] ester Formula: C26H18N4O6S MolecularWeight: 514.50932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N=CC3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C26H18N4O6S/c1-17-28-22-11-5-4-10-20(22)26(31)29(17)27-16-21-19-9-3-2-8-18(19)14-15-24(21)36-37(34,35)25-13-7-6-12-23(25)30(32)33/h2-16H,1H3/b27-16+