ethanedioic acid; 2-(3-fluorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-(3-fluorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine Openeye Name: 2-(3-fluorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid CAS Name: 2-(3-fluorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(3-fluorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid Traditional Name: 2-(3-fluorophenyl)ethyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine; oxalic acid Formula: C18H17FN2O8 MolecularWeight: 408.334583

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CNCCC3=CC(=CC=C3)F)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CNCCC3=CC(=CC=C3)F)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H15FN2O4.C2H2O4/c17-13-3-1-2-11(6-13)4-5-18-9-12-7-15-16(23-10-22-15)8-14(12)19(20)21;3-1(4)2(5)6/h1-3,6-8,18H,4-5,9-10H2;(H,3,4)(H,5,6)