[3-[[(Z)-(4-nitrophenyl)methylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate

Systemtic Name: [3-[[(Z)-(4-nitrophenyl)methylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate Openeye Name: [3-[[(Z)-(4-nitrophenyl)methyleneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate CAS Name: 6-methyl-1,3-benzodioxole-5-sulfonic acid [3-[[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-oxomethyl]phenyl] ester IUPAC Name: [3-[[(Z)-(4-nitrophenyl)methylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate Traditional Name: 6-methyl-1,3-benzodioxole-5-sulfonic acid [3-[[(Z)-(4-nitrobenzylidene)amino]carbamoyl]phenyl] ester Formula: C22H17N3O8S MolecularWeight: 483.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)OC3=CC=CC(=C3)C(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-])OCO2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)OC3=CC=CC(=C3)C(=O)N/N=C\C4=CC=C(C=C4)[N+](=O)[O-])OCO2

InChI

InChI=1S/C22H17N3O8S/c1-14-9-19-20(32-13-31-19)11-21(14)34(29,30)33-18-4-2-3-16(10-18)22(26)24-23-12-15-5-7-17(8-6-15)25(27)28/h2-12H,13H2,1H3,(H,24,26)/b23-12-