ethanedioic acid; 1-[3-(3-methyl-4-nitro-phenoxy)propyl]imidazole

Systemtic Name: ethanedioic acid; 1-[3-(3-methyl-4-nitro-phenoxy)propyl]imidazole Openeye Name: 1-[3-(3-methyl-4-nitro-phenoxy)propyl]imidazole; oxalic acid CAS Name: 1-[3-(3-methyl-4-nitrophenoxy)propyl]imidazole; oxalic acid IUPAC Name: 1-[3-(3-methyl-4-nitrophenoxy)propyl]imidazole; oxalic acid Traditional Name: 1-[3-(3-methyl-4-nitro-phenoxy)propyl]imidazole; oxalic acid Formula: C15H17N3O7 MolecularWeight: 351.31138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCN2C=CN=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCN2C=CN=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H15N3O3.C2H2O4/c1-11-9-12(3-4-13(11)16(17)18)19-8-2-6-15-7-5-14-10-15;3-1(4)2(5)6/h3-5,7,9-10H,2,6,8H2,1H3;(H,3,4)(H,5,6)