2-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-methylpropanoate

Systemtic Name: 2-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-methylpropanoate Openeye Name: 2-[5-(3-nitrobenzoyl)-1,3-dioxo-isoindolin-2-yl]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-[5-[(3-nitrophenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]ethyl ester IUPAC Name: 2-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]ethyl ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)OCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7/c1-12(2)21(27)30-9-8-22-19(25)16-7-6-14(11-17(16)20(22)26)18(24)13-4-3-5-15(10-13)23(28)29/h3-7,10-12H,8-9H2,1-2H3