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

Systemtic Name: 3-methylbutyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: isopentyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid isoamyl ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O6/c1-9(2)6-7-23-12(18)8-16-14(19)10-4-3-5-11(17(21)22)13(10)15(16)20/h3-5,9H,6-8H2,1-2H3