1-(4-aminophenyl)-5-(1,3-benzodioxol-5-yl)pyrazole-3-carboxylate

Systemtic Name: 1-(4-aminophenyl)-5-(1,3-benzodioxol-5-yl)pyrazole-3-carboxylate Openeye Name: 1-(4-aminophenyl)-5-(1,3-benzodioxol-5-yl)pyrazole-3-carboxylate CAS Name: 1-(4-aminophenyl)-5-(1,3-benzodioxol-5-yl)-3-pyrazolecarboxylate IUPAC Name: 1-(4-aminophenyl)-5-(1,3-benzodioxol-5-yl)pyrazole-3-carboxylate Traditional Name: 1-(4-aminophenyl)-5-(1,3-benzodioxol-5-yl)pyrazole-3-carboxylate Formula: C17H12N3O4- MolecularWeight: 322.29488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NN3C4=CC=C(C=C4)N)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NN3C4=CC=C(C=C4)N)C(=O)[O-]

InChI

InChI=1S/C17H13N3O4/c18-11-2-4-12(5-3-11)20-14(8-13(19-20)17(21)22)10-1-6-15-16(7-10)24-9-23-15/h1-8H,9,18H2,(H,21,22)/p-1