tert-butyl 2-[7-chloranyl-2,3-bis(oxidanylidene)-4-(phenylmethyl)quinoxalin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-chloranyl-2,3-bis(oxidanylidene)-4-(phenylmethyl)quinoxalin-1-yl]ethanoate Openeye Name: tert-butyl 2-(4-benzyl-7-chloro-2,3-dioxo-quinoxalin-1-yl)acetate CAS Name: 2-[7-chloro-2,3-dioxo-4-(phenylmethyl)-1-quinoxalinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)acetate Traditional Name: 2-(4-benzyl-7-chloro-2,3-diketo-quinoxalin-1-yl)acetic acid tert-butyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(C=CC(=C2)Cl)N(C(=O)C1=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(C=CC(=C2)Cl)N(C(=O)C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O4/c1-21(2,3)28-18(25)13-24-17-11-15(22)9-10-16(17)23(19(26)20(24)27)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3