[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxylate CAS Name: 1-ethyl-3-methyl-2-oxo-6-quinoxalinecarboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate Traditional Name: 1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C23H21ClN4O4 MolecularWeight: 452.89024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl)N=C(C1=O)C

InChI

InChI=1S/C23H21ClN4O4/c1-3-27-20-9-8-16(12-19(20)26-15(2)22(27)30)23(31)32-14-21(29)28(11-5-10-25)18-7-4-6-17(24)13-18/h4,6-9,12-13H,3,5,11,14H2,1-2H3