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1-[3-(dimethylamino)propylamino]-3-(3-nitrophenoxy)propan-2-ol; ethanedioic acid
1-[3-(dimethylamino)propylamino]-3-(3-nitrophenoxy)propan-2-ol; ethanedioic acid
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Descriptors Computed from Structure
Canonical SMILES:
CN(C)CCCNCC(COC1=CC=CC(=C1)[N+](=O)[O-])O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Isomeric SMILES
CN(C)CCCNCC(COC1=CC=CC(=C1)[N+](=O)[O-])O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
InChI
InChI=1S/C14H23N3O4.2C2H2O4/c1-16(2)8-4-7-15-10-13(18)11-21-14-6-3-5-12(9-14)17(19)20;2*3-1(4)2(5)6/h3,5-6,9,13,15,18H,4,7-8,10-11H2,1-2H3;2*(H,3,4)(H,5,6)
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