ethyl 2-[carbamimidoyl(methyl)amino]ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: ethyl 2-[carbamimidoyl(methyl)amino]ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; ethyl 2-[carbamimidoyl(methyl)amino]acetate CAS Name: 2-[carbamimidoyl(methyl)amino]acetic acid ethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: ethyl 2-[carbamimidoyl(methyl)amino]acetate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-[amidino(methyl)amino]acetic acid ethyl ester; citric acid Formula: C24H47N9O13 MolecularWeight: 669.68248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C(=N)N.CCOC(=O)CN(C)C(=N)N.CCOC(=O)CN(C)C(=N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)CN(C)C(=N)N.CCOC(=O)CN(C)C(=N)N.CCOC(=O)CN(C)C(=N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/3C6H13N3O2.C6H8O7/c3*1-3-11-5(10)4-9(2)6(7)8;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*3-4H2,1-2H3,(H3,7,8);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)