1-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropane-1-carboxylic acid Openeye Name: 1-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclopropanecarboxylic acid CAS Name: 1-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclopropane-1-carboxylic acid Traditional Name: 1-[3-(4-cyanobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]cyclopropanecarboxylic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H17N3O3/c1-24-18-7-6-15(21(8-9-21)20(26)27)11-16(18)23-17(19(24)25)10-13-2-4-14(12-22)5-3-13/h2-7,11H,8-10H2,1H3,(H,26,27)