4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate

Systemtic Name: 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate Openeye Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-4-(2,5-dioxopyrrol-1-yl)benzoate CAS Name: 2-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]-4-(2,5-dioxo-1-pyrrolyl)benzoate IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-(2,5-dioxopyrrol-1-yl)benzoate Traditional Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-4-maleimido-benzoate Formula: C28H23N3O5 MolecularWeight: 481.49932

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)N5C(=O)C=CC5=O)C(=O)[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)N5C(=O)C=CC5=O)C(=O)[O-]

InChI

InChI=1S/C28H23N3O5/c1-29(2)16-5-9-20-23(14-16)36-24-15-17(30(3)4)6-10-21(24)27(20)22-13-18(7-8-19(22)28(34)35)31-25(32)11-12-26(31)33/h5-15H,1-4H3