(2,6-dimethyl-4-nitro-phenyl) 3-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-4-oxidanylidene-butoxy]-10-methyl-9H-acridine-9-carboxylate

Systemtic Name: (2,6-dimethyl-4-nitro-phenyl) 3-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-4-oxidanylidene-butoxy]-10-methyl-9H-acridine-9-carboxylate Openeye Name: (2,6-dimethyl-4-nitro-phenyl) 3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-butoxy]-10-methyl-9H-acridine-9-carboxylate CAS Name: 3-[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutoxy]-10-methyl-9H-acridine-9-carboxylic acid (2,6-dimethyl-4-nitrophenyl) ester IUPAC Name: (2,6-dimethyl-4-nitrophenyl) 3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]-10-methyl-9H-acridine-9-carboxylate Traditional Name: 3-(4-keto-4-succinimidooxy-butoxy)-10-methyl-9H-acridine-9-carboxylic acid (2,6-dimethyl-4-nitro-phenyl) ester Formula: C31H29N3O9 MolecularWeight: 587.57666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2C3=C(C=C(C=C3)OCCCC(=O)ON4C(=O)CCC4=O)N(C5=CC=CC=C25)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2C3=C(C=C(C=C3)OCCCC(=O)ON4C(=O)CCC4=O)N(C5=CC=CC=C25)C)C)[N+](=O)[O-]

InChI

InChI=1S/C31H29N3O9/c1-18-15-20(34(39)40)16-19(2)30(18)42-31(38)29-22-7-4-5-8-24(22)32(3)25-17-21(10-11-23(25)29)41-14-6-9-28(37)43-33-26(35)12-13-27(33)36/h4-5,7-8,10-11,15-17,29H,6,9,12-14H2,1-3H3