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

Systemtic Name: 2-azanyl-6-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-3-nitro-benzoate Openeye Name: 2-amino-6-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-3-nitro-benzoate CAS Name: 2-amino-6-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-3-nitrobenzoate IUPAC Name: 2-amino-6-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-3-nitrobenzoate Traditional Name: 2-amino-6-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-3-nitro-benzoate Formula: C28H30N4O5 MolecularWeight: 502.5616

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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