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

Systemtic Name: ethanedioic acid; N-[(4-ethoxyphenyl)methyl]-2-methoxy-5-nitro-aniline Openeye Name: N-[(4-ethoxyphenyl)methyl]-2-methoxy-5-nitro-aniline; oxalic acid CAS Name: N-[(4-ethoxyphenyl)methyl]-2-methoxy-5-nitroaniline; oxalic acid IUPAC Name: N-[(4-ethoxyphenyl)methyl]-2-methoxy-5-nitroaniline; oxalic acid Traditional Name: (4-ethoxybenzyl)-(2-methoxy-5-nitro-phenyl)amine; oxalic acid Formula: C18H20N2O8 MolecularWeight: 392.36

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC2=C(C=CC(=C2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC2=C(C=CC(=C2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18N2O4.C2H2O4/c1-3-22-14-7-4-12(5-8-14)11-17-15-10-13(18(19)20)6-9-16(15)21-2;3-1(4)2(5)6/h4-10,17H,3,11H2,1-2H3;(H,3,4)(H,5,6)