4-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino]benzoic acid CAS Name: 4-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino]benzoic acid Formula: C15H11N3O6 MolecularWeight: 329.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O6/c19-15(20)9-1-3-11(4-2-9)17-16-7-10-5-13-14(24-8-23-13)6-12(10)18(21)22/h1-7,17H,8H2,(H,19,20)/b16-7+