ethanedioic acid; 2-methoxy-5-nitro-N-(phenylmethyl)aniline

Systemtic Name: ethanedioic acid; 2-methoxy-5-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-2-methoxy-5-nitro-aniline; oxalic acid CAS Name: 2-methoxy-5-nitro-N-(phenylmethyl)aniline; oxalic acid IUPAC Name: N-benzyl-2-methoxy-5-nitroaniline; oxalic acid Traditional Name: benzyl-(2-methoxy-5-nitro-phenyl)amine; oxalic acid Formula: C16H16N2O7 MolecularWeight: 348.30744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H14N2O3.C2H2O4/c1-19-14-8-7-12(16(17)18)9-13(14)15-10-11-5-3-2-4-6-11;3-1(4)2(5)6/h2-9,15H,10H2,1H3;(H,3,4)(H,5,6)