4-[2-(5-azidopentan-2-ylamino)-1-oxidanyl-ethyl]benzene-1,2-diol; ethanedioic acid

Systemtic Name: 4-[2-(5-azidopentan-2-ylamino)-1-oxidanyl-ethyl]benzene-1,2-diol; ethanedioic acid Openeye Name: 4-[2-[(4-azido-1-methyl-butyl)amino]-1-hydroxy-ethyl]benzene-1,2-diol; oxalic acid CAS Name: 4-[2-(5-azidopentan-2-ylamino)-1-hydroxyethyl]benzene-1,2-diol; oxalic acid IUPAC Name: 4-[2-(5-azidopentan-2-ylamino)-1-hydroxyethyl]benzene-1,2-diol; oxalic acid Traditional Name: 4-[2-[(4-azido-1-methyl-butyl)amino]-1-hydroxy-ethyl]pyrocatechol; oxalic acid Formula: C15H22N4O7 MolecularWeight: 370.35778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3.C2H2O4/c1-9(3-2-6-16-17-14)15-8-13(20)10-4-5-11(18)12(19)7-10;3-1(4)2(5)6/h4-5,7,9,13,15,18-20H,2-3,6,8H2,1H3;(H,3,4)(H,5,6)