2-(2-azanyl-3-ethoxycarbonyl-6-methoxy-4H-chromen-4-yl)-2-cyano-ethanoic acid

Systemtic Name: 2-(2-azanyl-3-ethoxycarbonyl-6-methoxy-4H-chromen-4-yl)-2-cyano-ethanoic acid Openeye Name: 2-(2-amino-3-ethoxycarbonyl-6-methoxy-4H-chromen-4-yl)-2-cyano-acetic acid CAS Name: 2-(2-amino-3-ethoxycarbonyl-6-methoxy-4H-1-benzopyran-4-yl)-2-cyanoacetic acid IUPAC Name: 2-(2-amino-3-ethoxycarbonyl-6-methoxy-4H-chromen-4-yl)-2-cyanoacetic acid Traditional Name: 2-(2-amino-3-carbethoxy-6-methoxy-4H-chromen-4-yl)-2-cyano-acetic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)O)C=C(C=C2)OC)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)O)C=C(C=C2)OC)N

InChI

InChI=1S/C16H16N2O6/c1-3-23-16(21)13-12(10(7-17)15(19)20)9-6-8(22-2)4-5-11(9)24-14(13)18/h4-6,10,12H,3,18H2,1-2H3,(H,19,20)