diethyl 2-[6-[(7-ethoxy-6-fluoranyl-3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-1-yl]pentanedioate

Systemtic Name: diethyl 2-[6-[(7-ethoxy-6-fluoranyl-3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-1-yl]pentanedioate Openeye Name: diethyl 2-[6-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-1-yl]pentanedioate CAS Name: 2-[6-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxido-2-quinoxalin-4-iumylidene)amino]-1-benzotriazolyl]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[6-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxidoquinoxalin-4-ium-2-ylidene)amino]benzotriazol-1-yl]pentanedioate Traditional Name: 2-[6-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-1-yl]glutaric acid diethyl ester Formula: C26H29FN6O7 MolecularWeight: 556.542863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N(C(=NC3=CC4=C(C=C3)N=NN4C(CCC(=O)OCC)C(=O)OCC)C(=[N+]2[O-])C)O)F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N(C(=NC3=CC4=C(C=C3)N=NN4C(CCC(=O)OCC)C(=O)OCC)C(=[N+]2[O-])C)O)F

InChI

InChI=1S/C26H29FN6O7/c1-5-38-23-14-22-21(13-17(23)27)32(36)15(4)25(33(22)37)28-16-8-9-18-20(12-16)31(30-29-18)19(26(35)40-7-3)10-11-24(34)39-6-2/h8-9,12-14,19,37H,5-7,10-11H2,1-4H3