ethanedioic acid; 1-(6-methylheptan-2-ylamino)-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-(6-methylheptan-2-ylamino)-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-(1,5-dimethylhexylamino)-3-(3-nitrophenoxy)propan-2-ol; oxalic acid CAS Name: 1-(6-methylheptan-2-ylamino)-3-(3-nitrophenoxy)-2-propanol; oxalic acid IUPAC Name: 1-(6-methylheptan-2-ylamino)-3-(3-nitrophenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(1,5-dimethylhexylamino)-3-(3-nitrophenoxy)propan-2-ol; oxalic acid Formula: C19H30N2O8 MolecularWeight: 414.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NCC(COC1=CC=CC(=C1)[N+](=O)[O-])O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCCC(C)NCC(COC1=CC=CC(=C1)[N+](=O)[O-])O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28N2O4.C2H2O4/c1-13(2)6-4-7-14(3)18-11-16(20)12-23-17-9-5-8-15(10-17)19(21)22;3-1(4)2(5)6/h5,8-10,13-14,16,18,20H,4,6-7,11-12H2,1-3H3;(H,3,4)(H,5,6)