dimethyl (E)-2-cyano-3-[(5-cyanoquinolin-6-yl)amino]but-2-enedioate

Systemtic Name: dimethyl (E)-2-cyano-3-[(5-cyanoquinolin-6-yl)amino]but-2-enedioate Openeye Name: dimethyl (E)-2-cyano-3-[(5-cyano-6-quinolyl)amino]but-2-enedioate CAS Name: (E)-2-cyano-3-[(5-cyano-6-quinolinyl)amino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-cyano-3-[(5-cyanoquinolin-6-yl)amino]but-2-enedioate Traditional Name: (E)-2-cyano-3-[(5-cyano-6-quinolyl)amino]but-2-enedioic acid dimethyl ester Formula: C17H12N4O4 MolecularWeight: 336.30158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C(=O)OC)NC1=C(C2=C(C=C1)N=CC=C2)C#N)C#N

Isomeric SMILES

COC(=O)/C(=C(\C(=O)OC)/NC1=C(C2=C(C=C1)N=CC=C2)C#N)/C#N

InChI

InChI=1S/C17H12N4O4/c1-24-16(22)12(9-19)15(17(23)25-2)21-14-6-5-13-10(11(14)8-18)4-3-7-20-13/h3-7,21H,1-2H3/b15-12+