4-chloranyl-2-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 2-[(E)-(tert-butoxycarbonylhydrazono)methyl]-4-chloro-6-nitro-phenolate CAS Name: 4-chloro-2-[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 2-[(E)-(tert-butoxycarbonylhydrazono)methyl]-4-chloro-6-nitro-phenolate Formula: C12H13ClN3O5- MolecularWeight: 314.70172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN=CC1=CC(=CC(=C1[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N/N=C/C1=CC(=CC(=C1[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C12H14ClN3O5/c1-12(2,3)21-11(18)15-14-6-7-4-8(13)5-9(10(7)17)16(19)20/h4-6,17H,1-3H3,(H,15,18)/p-1/b14-6+