N-[(4-chlorophenyl)methyl]-2-methoxy-5-nitro-aniline; ethanedioic acid

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-methoxy-5-nitro-aniline; ethanedioic acid Openeye Name: N-[(4-chlorophenyl)methyl]-2-methoxy-5-nitro-aniline; oxalic acid CAS Name: N-[(4-chlorophenyl)methyl]-2-methoxy-5-nitroaniline; oxalic acid IUPAC Name: N-[(4-chlorophenyl)methyl]-2-methoxy-5-nitroaniline; oxalic acid Traditional Name: (4-chlorobenzyl)-(2-methoxy-5-nitro-phenyl)amine; oxalic acid Formula: C16H15ClN2O7 MolecularWeight: 382.7525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O3.C2H2O4/c1-20-14-7-6-12(17(18)19)8-13(14)16-9-10-2-4-11(15)5-3-10;3-1(4)2(5)6/h2-8,16H,9H2,1H3;(H,3,4)(H,5,6)