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

Systemtic Name: pentyl 4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]benzoic acid amyl ester Formula: C27H22N2O7 MolecularWeight: 486.47278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=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

CCCCCOC(=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/C27H22N2O7/c1-2-3-4-14-36-27(33)17-8-11-20(12-9-17)28-25(31)22-13-10-19(16-23(22)26(28)32)24(30)18-6-5-7-21(15-18)29(34)35/h5-13,15-16H,2-4,14H2,1H3