[8-(3-azanyl-2-carboxy-4-nitro-phenyl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [8-(3-azanyl-2-carboxy-4-nitro-phenyl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [8-(3-amino-2-carboxy-4-nitro-phenyl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [8-(3-amino-2-carboxy-4-nitrophenyl)-5-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [8-(3-amino-2-carboxy-4-nitrophenyl)-5-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [8-(3-amino-2-carboxy-4-nitro-phenyl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C28H31N4O5+ MolecularWeight: 503.56954

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=C(C=C1)C3=C(C(=C(C=C3)[N+](=O)[O-])N)C(=O)O)C=C4C=CC(=[N+](CC)CC)C=C4O2

Isomeric SMILES

CCN(CC)C1=C2C(=C(C=C1)C3=C(C(=C(C=C3)[N+](=O)[O-])N)C(=O)O)C=C4C=CC(=[N+](CC)CC)C=C4O2

InChI

InChI=1S/C28H30N4O5/c1-5-30(6-2)18-10-9-17-15-21-19(20-12-13-22(32(35)36)26(29)25(20)28(33)34)11-14-23(31(7-3)8-4)27(21)37-24(17)16-18/h9-16H,5-8,29H2,1-4H3/p+1