2-azanyl-5-(1,3-benzodioxol-5-ylmethylideneamino)-2-[bis(fluoranyl)methyl]pentanoic acid

Systemtic Name: 2-azanyl-5-(1,3-benzodioxol-5-ylmethylideneamino)-2-[bis(fluoranyl)methyl]pentanoic acid Openeye Name: 2-amino-5-(1,3-benzodioxol-5-ylmethyleneamino)-2-(difluoromethyl)pentanoic acid CAS Name: 2-amino-5-(1,3-benzodioxol-5-ylmethylideneamino)-2-(difluoromethyl)pentanoic acid IUPAC Name: 2-amino-5-(1,3-benzodioxol-5-ylmethylideneamino)-2-(difluoromethyl)pentanoic acid Traditional Name: 2-amino-2-(difluoromethyl)-5-(piperonylideneamino)valeric acid Formula: C14H16F2N2O4 MolecularWeight: 314.284646

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NCCCC(C(F)F)(C(=O)O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=NCCCC(C(F)F)(C(=O)O)N

InChI

InChI=1S/C14H16F2N2O4/c15-12(16)14(17,13(19)20)4-1-5-18-7-9-2-3-10-11(6-9)22-8-21-10/h2-3,6-7,12H,1,4-5,8,17H2,(H,19,20)