[9-(3-azanyl-2-methyl-4-nitro-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(3-azanyl-2-methyl-4-nitro-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(3-amino-2-methyl-4-nitro-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(3-amino-2-methyl-4-nitrophenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(3-amino-2-methyl-4-nitrophenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(3-amino-2-methyl-4-nitro-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C(=C(C=C4)[N+](=O)[O-])N)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C(=C(C=C4)[N+](=O)[O-])N)C

InChI

InChI=1S/C28H33N4O3/c1-6-30(7-2)19-10-12-22-25(16-19)35-26-17-20(31(8-3)9-4)11-13-23(26)27(22)21-14-15-24(32(33)34)28(29)18(21)5/h10-17H,6-9,29H2,1-5H3/q+1