ethanedioic acid; 2-methyl-4-nitro-N-(pyridin-2-ylmethyl)aniline

Systemtic Name: ethanedioic acid; 2-methyl-4-nitro-N-(pyridin-2-ylmethyl)aniline Openeye Name: 2-methyl-4-nitro-N-(2-pyridylmethyl)aniline; oxalic acid CAS Name: 2-methyl-4-nitro-N-(2-pyridinylmethyl)aniline; oxalic acid IUPAC Name: 2-methyl-4-nitro-N-(pyridin-2-ylmethyl)aniline; oxalic acid Traditional Name: (2-methyl-4-nitro-phenyl)-(2-pyridylmethyl)amine; oxalic acid Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H13N3O2.C2H2O4/c1-10-8-12(16(17)18)5-6-13(10)15-9-11-4-2-3-7-14-11;3-1(4)2(5)6/h2-8,15H,9H2,1H3;(H,3,4)(H,5,6)