2-methylpropyl 4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: 2-methylpropyl 4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: isobutyl 4-[5-(3-nitrobenzoyl)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 4-[5-[(3-nitrophenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]benzoic acid isobutyl ester Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O7/c1-15(2)14-35-26(32)16-6-9-19(10-7-16)27-24(30)21-11-8-18(13-22(21)25(27)31)23(29)17-4-3-5-20(12-17)28(33)34/h3-13,15H,14H2,1-2H3