[4-[[(2-hydroxyphenyl)carbonylamino]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[(2-hydroxyphenyl)carbonylamino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[(2-hydroxyphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(salicyloylamino)carbamoyl]phenyl] ester Formula: C20H15N3O8S MolecularWeight: 457.4134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O8S/c24-18-7-2-1-6-17(18)20(26)22-21-19(25)13-8-10-15(11-9-13)31-32(29,30)16-5-3-4-14(12-16)23(27)28/h1-12,24H,(H,21,25)(H,22,26)