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

Systemtic Name: diethyl 2-[5-[(6-chloranyl-3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]pentanedioate Openeye Name: diethyl 2-[5-[(6-chloro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]pentanedioate CAS Name: 2-[5-[(6-chloro-1-hydroxy-3-methyl-4-oxido-2-quinoxalin-4-iumylidene)amino]-2-benzotriazolyl]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[(6-chloro-1-hydroxy-3-methyl-4-oxidoquinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]pentanedioate Traditional Name: 2-[5-[(6-chloro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-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)N1N=C2C=CC(=CC2=N1)N=C3C(=[N+](C4=C(N3O)C=CC(=C4)Cl)[O-])C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)N1N=C2C=CC(=CC2=N1)N=C3C(=[N+](C4=C(N3O)C=CC(=C4)Cl)[O-])C

InChI

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