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

Systemtic Name: diethyl 2-[5-[(6-chloranyl-3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-1-yl]pentanedioate Openeye Name: diethyl 2-[5-[(6-chloro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-1-yl]pentanedioate CAS Name: 2-[5-[(6-chloro-1-hydroxy-3-methyl-4-oxido-2-quinoxalin-4-iumylidene)amino]-1-benzotriazolyl]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[(6-chloro-1-hydroxy-3-methyl-4-oxidoquinoxalin-4-ium-2-ylidene)amino]benzotriazol-1-yl]pentanedioate Traditional Name: 2-[5-[(6-chloro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-1-yl]glutaric acid diethyl ester Formula: C24H25ClN6O6 MolecularWeight: 528.9449

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)N1C2=C(C=C(C=C2)N=C3C(=[N+](C4=C(N3O)C=CC(=C4)Cl)[O-])C)N=N1

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)N1C2=C(C=C(C=C2)N=C3C(=[N+](C4=C(N3O)C=CC(=C4)Cl)[O-])C)N=N1

InChI

InChI=1S/C24H25ClN6O6/c1-4-36-22(32)11-10-20(24(33)37-5-2)29-18-9-7-16(13-17(18)27-28-29)26-23-14(3)30(34)21-12-15(25)6-8-19(21)31(23)35/h6-9,12-13,20,35H,4-5,10-11H2,1-3H3