1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(3-nitrophenyl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(3-nitrophenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(3-nitrophenyl)methyl]ethanamine; oxalic acid CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(3-nitrophenyl)methyl]ethanamine; oxalic acid IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(3-nitrophenyl)methyl]ethanamine; oxalic acid Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl-(3-nitrobenzyl)amine; oxalic acid Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1COC2=CC=CC=C2O1)NCC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1COC2=CC=CC=C2O1)NCC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N2O4.C2H2O4/c1-12(17-11-22-15-7-2-3-8-16(15)23-17)18-10-13-5-4-6-14(9-13)19(20)21;3-1(4)2(5)6/h2-9,12,17-18H,10-11H2,1H3;(H,3,4)(H,5,6)