[8-[2-(acetyloxymethoxycarbonyl)-3-azanyl-4-nitro-phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium bromide

Systemtic Name: [8-[2-(acetyloxymethoxycarbonyl)-3-azanyl-4-nitro-phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium bromide Openeye Name: [8-[2-(acetoxymethoxycarbonyl)-3-amino-4-nitro-phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium bromide CAS Name: [8-[2-[acetyloxymethoxy(oxo)methyl]-3-amino-4-nitrophenyl]-5-(dimethylamino)-3-xanthenylidene]-dimethylammonium bromide IUPAC Name: [8-[2-(acetyloxymethoxycarbonyl)-3-amino-4-nitrophenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethylazanium bromide Traditional Name: [8-[2-(acetoxymethoxycarbonyl)-3-amino-4-nitro-phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium bromide Formula: C27H27BrN4O7 MolecularWeight: 599.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)C1=C(C=CC(=C1N)[N+](=O)[O-])C2=C3C=C4C=CC(=[N+](C)C)C=C4OC3=C(C=C2)N(C)C.[Br-]

Isomeric SMILES

CC(=O)OCOC(=O)C1=C(C=CC(=C1N)[N+](=O)[O-])C2=C3C=C4C=CC(=[N+](C)C)C=C4OC3=C(C=C2)N(C)C.[Br-]

InChI

InChI=1S/C27H26N4O7.BrH/c1-15(32)36-14-37-27(33)24-19(9-10-21(25(24)28)31(34)35)18-8-11-22(30(4)5)26-20(18)12-16-6-7-17(29(2)3)13-23(16)38-26;/h6-13H,14H2,1-5H3,(H-,28,33);1H