3-methylbutyl 4-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate Openeye Name: isopentyl 4-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]benzoate CAS Name: 4-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate Traditional Name: 4-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]benzoic acid isoamyl ester Formula: C26H29N3O7 MolecularWeight: 495.52436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O7/c1-17(2)14-16-36-26(33)18-10-12-19(13-11-18)27-22(30)9-4-3-5-15-28-24(31)20-7-6-8-21(29(34)35)23(20)25(28)32/h6-8,10-13,17H,3-5,9,14-16H2,1-2H3,(H,27,30)