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

Systemtic Name: [9-(3-azanyl-2-carboxy-4-nitro-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(3-amino-2-carboxy-4-nitro-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(3-amino-2-carboxy-4-nitrophenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(3-amino-2-carboxy-4-nitrophenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(3-amino-2-carboxy-4-nitro-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C28H31N4O5+ MolecularWeight: 503.56954

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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(=O)O

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(=O)O

InChI

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