[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C22H21N3O4/c1-22(2,3)21(28)25-16-7-4-14(5-8-16)19(26)13-29-20(27)15-6-9-17-18(12-15)24-11-10-23-17/h4-12H,13H2,1-3H3,(H,25,28)