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

Systemtic Name: ethanedioic acid; N-(furan-2-ylmethyl)-2-methyl-4-nitro-aniline Openeye Name: N-(2-furylmethyl)-2-methyl-4-nitro-aniline; oxalic acid CAS Name: N-(2-furanylmethyl)-2-methyl-4-nitroaniline; oxalic acid IUPAC Name: N-(furan-2-ylmethyl)-2-methyl-4-nitroaniline; oxalic acid Traditional Name: 2-furfuryl-(2-methyl-4-nitro-phenyl)amine; oxalic acid Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CO2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H12N2O3.C2H2O4/c1-9-7-10(14(15)16)4-5-12(9)13-8-11-3-2-6-17-11;3-1(4)2(5)6/h2-7,13H,8H2,1H3;(H,3,4)(H,5,6)