ethyl 5-[(3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]benzotriazole-2-carboxylate

Systemtic Name: ethyl 5-[(3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]benzotriazole-2-carboxylate Openeye Name: ethyl 5-[(1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazole-2-carboxylate CAS Name: 5-[(1-hydroxy-3-methyl-4-oxido-2-quinoxalin-4-iumylidene)amino]-2-benzotriazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-hydroxy-3-methyl-4-oxidoquinoxalin-4-ium-2-ylidene)amino]benzotriazole-2-carboxylate Traditional Name: 5-[(1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazole-2-carboxylic acid ethyl ester Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1N=C2C=CC(=CC2=N1)N=C3C(=[N+](C4=CC=CC=C4N3O)[O-])C

Isomeric SMILES

CCOC(=O)N1N=C2C=CC(=CC2=N1)N=C3C(=[N+](C4=CC=CC=C4N3O)[O-])C

InChI

InChI=1S/C18H16N6O4/c1-3-28-18(25)24-20-13-9-8-12(10-14(13)21-24)19-17-11(2)22(26)15-6-4-5-7-16(15)23(17)27/h4-10,27H,3H2,1-2H3