methyl 2-[3-[2-[(2-chlorophenyl)carbonylamino]ethylamino]quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-[2-[(2-chlorophenyl)carbonylamino]ethylamino]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-[2-[(2-chlorobenzoyl)amino]ethylamino]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[2-[[(2-chlorophenyl)-oxomethyl]amino]ethylamino]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-[2-[(2-chlorobenzoyl)amino]ethylamino]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[2-[(2-chlorobenzoyl)amino]ethylamino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H18ClN5O3/c1-30-21(29)14(12-23)18-19(27-17-9-5-4-8-16(17)26-18)24-10-11-25-20(28)13-6-2-3-7-15(13)22/h2-9,14H,10-11H2,1H3,(H,24,27)(H,25,28)