potassium; 2-[(4-cyanophenyl)-methoxycarbonyl-amino]ethanoic acid; hydrogen carbonate

Systemtic Name: potassium; 2-[(4-cyanophenyl)-methoxycarbonyl-amino]ethanoic acid; hydrogen carbonate Openeye Name: potassium; 2-(4-cyano-N-methoxycarbonyl-anilino)acetic acid; hydrogen carbonate CAS Name: potassium; 2-(4-cyano-N-methoxycarbonylanilino)acetic acid; hydrogen carbonate IUPAC Name: potassium; 2-(4-cyano-N-methoxycarbonylanilino)acetic acid; hydrogen carbonate Traditional Name: potassium 2-(N-carbomethoxy-4-cyano-anilino)acetic acid bicarbonate Formula: C12H11KN2O7 MolecularWeight: 334.32324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CC(=O)O)C1=CC=C(C=C1)C#N.C(=O)(O)[O-].[K+]

Isomeric SMILES

COC(=O)N(CC(=O)O)C1=CC=C(C=C1)C#N.C(=O)(O)[O-].[K+]

InChI

InChI=1S/C11H10N2O4.CH2O3.K/c1-17-11(16)13(7-10(14)15)9-4-2-8(6-12)3-5-9;2-1(3)4;/h2-5H,7H2,1H3,(H,14,15);(H2,2,3,4);/q;;+1/p-1