[2-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(phthalazin-1-ylhydrazono)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-(1-phthalazinylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-methoxy-4-[(E)-(phthalazin-1-ylhydrazono)methyl]phenyl] ester Formula: C23H19N5O6S MolecularWeight: 493.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC3=NN=CC4=CC=CC=C43)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC3=NN=CC4=CC=CC=C43)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O6S/c1-15-7-9-18(12-20(15)28(29)30)35(31,32)34-21-10-8-16(11-22(21)33-2)13-24-26-23-19-6-4-3-5-17(19)14-25-27-23/h3-14H,1-2H3,(H,26,27)/b24-13+