3-(3,3-dimethyl-2-oxidanylidene-butyl)-2-(3,3-dimethyl-2-oxidanylidene-butylidene)-1H-quinoxaline-6-carboxylic acid

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)-2-(3,3-dimethyl-2-oxidanylidene-butylidene)-1H-quinoxaline-6-carboxylic acid Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)-2-(3,3-dimethyl-2-oxo-butylidene)-1H-quinoxaline-6-carboxylic acid CAS Name: 3-(3,3-dimethyl-2-oxobutyl)-2-(3,3-dimethyl-2-oxobutylidene)-1H-quinoxaline-6-carboxylic acid IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)-2-(3,3-dimethyl-2-oxobutylidene)-1H-quinoxaline-6-carboxylic acid Traditional Name: 3-(2-keto-3,3-dimethyl-butyl)-2-(2-keto-3,3-dimethyl-butylidene)-1H-quinoxaline-6-carboxylic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1=NC2=C(C=CC(=C2)C(=O)O)NC1=CC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)CC1=NC2=C(C=CC(=C2)C(=O)O)NC1=CC(=O)C(C)(C)C

InChI

InChI=1S/C21H26N2O4/c1-20(2,3)17(24)10-15-16(11-18(25)21(4,5)6)23-14-9-12(19(26)27)7-8-13(14)22-15/h7-10,22H,11H2,1-6H3,(H,26,27)