(3-methyl-4-propan-2-yl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C21H20N2O6/c1-12(2)15-8-7-14(11-13(15)3)29-18(24)9-10-22-20(25)16-5-4-6-17(23(27)28)19(16)21(22)26/h4-8,11-12H,9-10H2,1-3H3