4-[(E)-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[[2-(piperonyloylamino)acetyl]hydrazono]methyl]benzoic acid Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)N/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N3O6/c22-16(21-20-8-11-1-3-12(4-2-11)18(24)25)9-19-17(23)13-5-6-14-15(7-13)27-10-26-14/h1-8H,9-10H2,(H,19,23)(H,21,22)(H,24,25)/b20-8+