dimethyl 5-(2-cyanoethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-cyanoethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-cyanoacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(2-cyano-1-oxoethyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-cyanoacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-cyanoacetyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC#N)C(=O)OC

InChI

InChI=1S/C13H12N2O5/c1-19-12(17)8-5-9(13(18)20-2)7-10(6-8)15-11(16)3-4-14/h5-7H,3H2,1-2H3,(H,15,16)