diethyl 2-[5-[(7-ethoxy-6-fluoranyl-3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]pentanedioate

Systemtic Name: diethyl 2-[5-[(7-ethoxy-6-fluoranyl-3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]pentanedioate Openeye Name: diethyl 2-[5-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]pentanedioate CAS Name: 2-[5-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxido-2-quinoxalin-4-iumylidene)amino]-2-benzotriazolyl]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxidoquinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]pentanedioate Traditional Name: 2-[5-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]glutaric acid diethyl ester Formula: C26H29FN6O7 MolecularWeight: 556.542863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N(C(=NC3=CC4=NN(N=C4C=C3)C(CCC(=O)OCC)C(=O)OCC)C(=[N+]2[O-])C)O)F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N(C(=NC3=CC4=NN(N=C4C=C3)C(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)31(36)15(4)25(32(22)37)28-16-8-9-18-19(12-16)30-33(29-18)20(26(35)40-7-3)10-11-24(34)39-6-2/h8-9,12-14,20,37H,5-7,10-11H2,1-4H3