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

Systemtic Name: ethanedioic acid; N-(furan-2-ylmethyl)-2-methoxy-5-nitro-aniline Openeye Name: N-(2-furylmethyl)-2-methoxy-5-nitro-aniline; oxalic acid CAS Name: N-(2-furanylmethyl)-2-methoxy-5-nitroaniline; oxalic acid IUPAC Name: N-(furan-2-ylmethyl)-2-methoxy-5-nitroaniline; oxalic acid Traditional Name: 2-furfuryl-(2-methoxy-5-nitro-phenyl)amine; oxalic acid Formula: C14H14N2O8 MolecularWeight: 338.26956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=CO2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=CO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H12N2O4.C2H2O4/c1-17-12-5-4-9(14(15)16)7-11(12)13-8-10-3-2-6-18-10;3-1(4)2(5)6/h2-7,13H,8H2,1H3;(H,3,4)(H,5,6)