ethanedioic acid; 2-methyl-8-[2-(4-methyl-2-nitro-phenoxy)ethoxy]quinoline

Systemtic Name: ethanedioic acid; 2-methyl-8-[2-(4-methyl-2-nitro-phenoxy)ethoxy]quinoline Openeye Name: 2-methyl-8-[2-(4-methyl-2-nitro-phenoxy)ethoxy]quinoline; oxalic acid CAS Name: 2-methyl-8-[2-(4-methyl-2-nitrophenoxy)ethoxy]quinoline; oxalic acid IUPAC Name: 2-methyl-8-[2-(4-methyl-2-nitrophenoxy)ethoxy]quinoline; oxalic acid Traditional Name: 2-methyl-8-[2-(4-methyl-2-nitro-phenoxy)ethoxy]quinoline; oxalic acid Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCOC2=CC=CC3=C2N=C(C=C3)C)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCOC2=CC=CC3=C2N=C(C=C3)C)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H18N2O4.C2H2O4/c1-13-6-9-17(16(12-13)21(22)23)24-10-11-25-18-5-3-4-15-8-7-14(2)20-19(15)18;3-1(4)2(5)6/h3-9,12H,10-11H2,1-2H3;(H,3,4)(H,5,6)