ethanedioic acid; 4-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]benzonitrile; oxalic acid CAS Name: 4-[[[1-methyl-5-(3-nitrophenyl)-2-imidazolyl]amino]methyl]benzonitrile; oxalic acid IUPAC Name: 4-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]benzonitrile; oxalic acid Traditional Name: 4-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]benzonitrile; oxalic acid Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1NCC2=CC=C(C=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CN=C1NCC2=CC=C(C=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H15N5O2.C2H2O4/c1-22-17(15-3-2-4-16(9-15)23(24)25)12-21-18(22)20-11-14-7-5-13(10-19)6-8-14;3-1(4)2(5)6/h2-9,12H,11H2,1H3,(H,20,21);(H,3,4)(H,5,6)