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

Systemtic Name: butyl 2-[7-chloranyl-2,3-bis(oxidanylidene)-4-(phenylmethyl)quinoxalin-1-yl]ethanoate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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