[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-2,6-dimethyl-phenyl] 10-methyl-2-oxidanyl-acridin-10-ium-9-carboxylate

Systemtic Name: [4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-2,6-dimethyl-phenyl] 10-methyl-2-oxidanyl-acridin-10-ium-9-carboxylate Openeye Name: [4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2,6-dimethyl-phenyl] 2-hydroxy-10-methyl-acridin-10-ium-9-carboxylate CAS Name: 2-hydroxy-10-methyl-9-acridin-10-iumcarboxylic acid [4-[(2,5-dioxo-1-pyrrolidinyl)oxy-oxomethyl]-2,6-dimethylphenyl] ester IUPAC Name: [4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2,6-dimethylphenyl] 2-hydroxy-10-methylacridin-10-ium-9-carboxylate Traditional Name: 2-hydroxy-10-methyl-acridin-10-ium-9-carboxylic acid (2,6-dimethyl-4-succinimidooxycarbonyl-phenyl) ester Formula: C28H23N2O7+ MolecularWeight: 499.49142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)O)C)C(=O)ON5C(=O)CCC5=O

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)O)C)C(=O)ON5C(=O)CCC5=O

InChI

InChI=1S/C28H22N2O7/c1-15-12-17(27(34)37-30-23(32)10-11-24(30)33)13-16(2)26(15)36-28(35)25-19-6-4-5-7-21(19)29(3)22-9-8-18(31)14-20(22)25/h4-9,12-14H,10-11H2,1-3H3/p+1