ethanedioic acid; 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine

Systemtic Name: ethanedioic acid; 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine Openeye Name: 1-methyl-N-(m-tolylmethyl)-5-(3-nitrophenyl)imidazol-2-amine; oxalic acid CAS Name: 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)-2-imidazolamine; oxalic acid IUPAC Name: 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine; oxalic acid Traditional Name: (3-methylbenzyl)-[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amine; oxalic acid Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=NC=C(N2C)C3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=NC=C(N2C)C3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18N4O2.C2H2O4/c1-13-5-3-6-14(9-13)11-19-18-20-12-17(21(18)2)15-7-4-8-16(10-15)22(23)24;3-1(4)2(5)6/h3-10,12H,11H2,1-2H3,(H,19,20);(H,3,4)(H,5,6)