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2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 2-[[3-(carboxycarbonylamino)-2-chloranyl-5-cyano-phenyl]amino]-2-oxidanylidene-ethanoic acid

2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 2-[[3-(carboxycarbonylamino)-2-chloranyl-5-cyano-phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name:2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 2-[[3-(carboxycarbonylamino)-2-chloranyl-5-cyano-phenyl]amino]-2-oxidanylidene-ethanoic acid
Openeye Name:2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxo-acetic acid
CAS Name:2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid
IUPAC Name:2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid
Traditional Name:2-amino-2-methylol-propane-1,3-diol; 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-keto-acetic acid
Formula: C15H17ClN4O9
MolecularWeight: 432.76988
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N.C(C(CO)(CO)N)O


Isomeric SMILES

C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N.C(C(CO)(CO)N)O


InChI

InChI=1S/C11H6ClN3O6.C4H11NO3/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21;5-4(1-6,2-7)3-8/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21);6-8H,1-3,5H2


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