ethanedioic acid; 2-methoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: ethanedioic acid; 2-methoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 2-methoxy-5-nitro-N-(3-pyridylmethyl)aniline; oxalic acid CAS Name: 2-methoxy-5-nitro-N-(3-pyridinylmethyl)aniline; oxalic acid IUPAC Name: 2-methoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline; oxalic acid Traditional Name: (2-methoxy-5-nitro-phenyl)-(3-pyridylmethyl)amine; oxalic acid Formula: C15H15N3O7 MolecularWeight: 349.2955

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H13N3O3.C2H2O4/c1-19-13-5-4-11(16(17)18)7-12(13)15-9-10-3-2-6-14-8-10;3-1(4)2(5)6/h2-8,15H,9H2,1H3;(H,3,4)(H,5,6)