4-[6-azanylidene-3-(1,3-benzodioxol-5-yl)pyridazin-1-yl]butanoic acid

Systemtic Name: 4-[6-azanylidene-3-(1,3-benzodioxol-5-yl)pyridazin-1-yl]butanoic acid Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-6-imino-pyridazin-1-yl]butanoic acid CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-6-imino-1-pyridazinyl]butanoic acid IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-6-iminopyridazin-1-yl]butanoic acid Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-6-imino-pyridazin-1-yl]butyric acid Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=N)C=C3)CCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=N)C=C3)CCCC(=O)O

InChI

InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)