[2-methoxy-4-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H16N4O9S MolecularWeight: 500.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O9S/c1-33-20-11-14(13-22-23-21(26)15-3-2-4-17(12-15)25(29)30)5-10-19(20)34-35(31,32)18-8-6-16(7-9-18)24(27)28/h2-13H,1H3,(H,23,26)/b22-13+