2-(4-azanyl-1-methoxy-butan-2-yl)oxy-2-oxidanylidene-ethanoic acid; 4-chloranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 2-(4-azanyl-1-methoxy-butan-2-yl)oxy-2-oxidanylidene-ethanoic acid; 4-chloranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 2-[3-amino-1-(methoxymethyl)propoxy]-2-oxo-acetic acid; 4-chloro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 2-(4-amino-1-methoxybutan-2-yl)oxy-2-oxoacetic acid; 4-chloro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 2-(4-amino-1-methoxybutan-2-yl)oxy-2-oxoacetic acid; 4-chloro-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 2-[3-amino-1-(methoxymethyl)propoxy]-2-keto-acetic acid; 4-chloro-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C14H17ClN2O6 MolecularWeight: 344.74758

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CCN)OC(=O)C(=O)O.C1C(=CC=C(C1=O)C#N)Cl

Isomeric SMILES

COCC(CCN)OC(=O)C(=O)O.C1C(=CC=C(C1=O)C#N)Cl

InChI

InChI=1S/C7H4ClNO.C7H13NO5/c8-6-2-1-5(4-9)7(10)3-6;1-12-4-5(2-3-8)13-7(11)6(9)10/h1-2H,3H2;5H,2-4,8H2,1H3,(H,9,10)