ethanedioic acid; 2-methoxy-N-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-5-nitro-aniline

Systemtic Name: ethanedioic acid; 2-methoxy-N-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-5-nitro-aniline Openeye Name: N-[(3-benzyloxy-4-methoxy-phenyl)methyl]-2-methoxy-5-nitro-aniline; oxalic acid CAS Name: 2-methoxy-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-5-nitroaniline; oxalic acid IUPAC Name: 2-methoxy-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-5-nitroaniline; oxalic acid Traditional Name: (3-benzoxy-4-methoxy-benzyl)-(2-methoxy-5-nitro-phenyl)amine; oxalic acid Formula: C24H24N2O9 MolecularWeight: 484.45536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H22N2O5.C2H2O4/c1-27-20-11-9-18(24(25)26)13-19(20)23-14-17-8-10-21(28-2)22(12-17)29-15-16-6-4-3-5-7-16;3-1(4)2(5)6/h3-13,23H,14-15H2,1-2H3;(H,3,4)(H,5,6)