N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitro-aniline; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitro-aniline; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitro-aniline; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline; oxalic acid Traditional Name: (2-methyl-4-nitro-phenyl)-piperonyl-amine; oxalic acid Formula: C17H16N2O8 MolecularWeight: 376.31754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H14N2O4.C2H2O4/c1-10-6-12(17(18)19)3-4-13(10)16-8-11-2-5-14-15(7-11)21-9-20-14;3-1(4)2(5)6/h2-7,16H,8-9H2,1H3;(H,3,4)(H,5,6)