2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-4-nitro-benzoate

Systemtic Name: 2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-4-nitro-benzoate Openeye Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-4-nitro-benzoate CAS Name: 2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-4-nitrobenzoate IUPAC Name: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-4-nitrobenzoate Traditional Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-4-nitro-benzoate Formula: C28H29N3O5 MolecularWeight: 487.54696

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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=CC(=C4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O5/c1-5-29(6-2)18-9-13-22-25(16-18)36-26-17-19(30(7-3)8-4)10-14-23(26)27(22)24-15-20(31(34)35)11-12-21(24)28(32)33/h9-17H,5-8H2,1-4H3