N-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methoxy-5-nitro-aniline; ethanedioic acid

Systemtic Name: N-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methoxy-5-nitro-aniline; ethanedioic acid Openeye Name: N-[(2,6-difluorophenyl)methyl]-2-methoxy-5-nitro-aniline; oxalic acid CAS Name: N-[(2,6-difluorophenyl)methyl]-2-methoxy-5-nitroaniline; oxalic acid IUPAC Name: N-[(2,6-difluorophenyl)methyl]-2-methoxy-5-nitroaniline; oxalic acid Traditional Name: (2,6-difluorobenzyl)-(2-methoxy-5-nitro-phenyl)amine; oxalic acid Formula: C16H14F2N2O7 MolecularWeight: 384.288366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=C(C=CC=C2F)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=C(C=CC=C2F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H12F2N2O3.C2H2O4/c1-21-14-6-5-9(18(19)20)7-13(14)17-8-10-11(15)3-2-4-12(10)16;3-1(4)2(5)6/h2-7,17H,8H2,1H3;(H,3,4)(H,5,6)