(1-aminocarbonylpiperidin-4-yl)methyl nitrate; 2-oxidanylpropane-1,2,3-tricarboxylic acid; hydrate

Systemtic Name: (1-aminocarbonylpiperidin-4-yl)methyl nitrate; 2-oxidanylpropane-1,2,3-tricarboxylic acid; hydrate Openeye Name: (1-carbamoyl-4-piperidyl)methyl nitrate; citric acid; hydrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; nitric acid (1-carbamoyl-4-piperidinyl)methyl ester; hydrate IUPAC Name: (1-carbamoylpiperidin-4-yl)methyl nitrate; 2-hydroxypropane-1,2,3-tricarboxylic acid; hydrate Traditional Name: citric acid; nitric acid (1-carbamoyl-4-piperidyl)methyl ester; hydrate Formula: C13H23N3O12 MolecularWeight: 413.33462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO[N+](=O)[O-])C(=O)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

Isomeric SMILES

C1CN(CCC1CO[N+](=O)[O-])C(=O)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

InChI

InChI=1S/C7H13N3O4.C6H8O7.H2O/c8-7(11)9-3-1-6(2-4-9)5-14-10(12)13;7-3(8)1-6(13,5(11)12)2-4(9)10;/h6H,1-5H2,(H2,8,11);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2