5-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-1-methyl-benzotriazole-4-carboxylate

Systemtic Name: 5-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-1-methyl-benzotriazole-4-carboxylate Openeye Name: 5-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-1-methyl-benzotriazole-4-carboxylate CAS Name: 5-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]-1-methyl-4-benzotriazolecarboxylate IUPAC Name: 5-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-1-methylbenzotriazole-4-carboxylate Traditional Name: 5-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-1-methyl-benzotriazole-4-carboxylate Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(C=C2)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C)C(=O)[O-])N=N1

Isomeric SMILES

CN1C2=C(C(=C(C=C2)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C)C(=O)[O-])N=N1

InChI

InChI=1S/C25H23N5O3/c1-28(2)14-6-8-16-20(12-14)33-21-13-15(29(3)4)7-9-17(21)22(16)18-10-11-19-24(23(18)25(31)32)26-27-30(19)5/h6-13H,1-5H3