ethanedioic acid; N-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-aniline

Systemtic Name: ethanedioic acid; N-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-aniline Openeye Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-aniline; oxalic acid CAS Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-nitroaniline; oxalic acid IUPAC Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-nitroaniline; oxalic acid Traditional Name: (4-fluorobenzyl)-(2-methyl-4-nitro-phenyl)amine; oxalic acid Formula: C16H15FN2O6 MolecularWeight: 350.298503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H13FN2O2.C2H2O4/c1-10-8-13(17(18)19)6-7-14(10)16-9-11-2-4-12(15)5-3-11;3-1(4)2(5)6/h2-8,16H,9H2,1H3;(H,3,4)(H,5,6)