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

Systemtic Name: 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate Openeye Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-benzoate CAS Name: 2-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]-4-[(2,5-dioxo-1-pyrrolidinyl)oxy-oxomethyl]benzoate IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate Traditional Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-4-succinimidooxycarbonyl-benzoate Formula: C29H25N3O7 MolecularWeight: 527.5247

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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)C(=O)ON5C(=O)CCC5=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)C(=O)ON5C(=O)CCC5=O)C(=O)[O-]

InChI

InChI=1S/C29H25N3O7/c1-30(2)17-6-9-20-23(14-17)38-24-15-18(31(3)4)7-10-21(24)27(20)22-13-16(5-8-19(22)28(35)36)29(37)39-32-25(33)11-12-26(32)34/h5-10,13-15H,11-12H2,1-4H3