ethanedioic acid; 1-(4-methoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]methanamine

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]methanamine Openeye Name: 1-(4-methoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]methanamine; oxalic acid CAS Name: 1-(4-methoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]methanamine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]methanamine; oxalic acid Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-p-anisyl-amine; oxalic acid Formula: C18H18N2O9 MolecularWeight: 406.34352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNCC2=CC3=C(C=C2[N+](=O)[O-])OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNCC2=CC3=C(C=C2[N+](=O)[O-])OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H16N2O5.C2H2O4/c1-21-13-4-2-11(3-5-13)8-17-9-12-6-15-16(23-10-22-15)7-14(12)18(19)20;3-1(4)2(5)6/h2-7,17H,8-10H2,1H3;(H,3,4)(H,5,6)