2-[(dibutylamino)methyl]-4-[methyl-(5-nitropyridin-2-yl)amino]phenol; ethanedioic acid

Systemtic Name: 2-[(dibutylamino)methyl]-4-[methyl-(5-nitropyridin-2-yl)amino]phenol; ethanedioic acid Openeye Name: 2-[(dibutylamino)methyl]-4-[methyl-(5-nitro-2-pyridyl)amino]phenol; oxalic acid CAS Name: 2-[(dibutylamino)methyl]-4-[methyl-(5-nitro-2-pyridinyl)amino]phenol; oxalic acid IUPAC Name: 2-[(dibutylamino)methyl]-4-[methyl-(5-nitropyridin-2-yl)amino]phenol; oxalic acid Traditional Name: 2-[(dibutylamino)methyl]-4-[methyl-(5-nitro-2-pyridyl)amino]phenol; oxalic acid Formula: C23H32N4O7 MolecularWeight: 476.52278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1=C(C=CC(=C1)N(C)C2=NC=C(C=C2)[N+](=O)[O-])O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(CCCC)CC1=C(C=CC(=C1)N(C)C2=NC=C(C=C2)[N+](=O)[O-])O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H30N4O3.C2H2O4/c1-4-6-12-24(13-7-5-2)16-17-14-18(8-10-20(17)26)23(3)21-11-9-19(15-22-21)25(27)28;3-1(4)2(5)6/h8-11,14-15,26H,4-7,12-13,16H2,1-3H3;(H,3,4)(H,5,6)