2-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-keto-2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-11-7-16(13(3)22(11)12(2)10-29-4)18(24)9-21-19(25)15-6-5-14(23(27)28)8-17(15)20(21)26/h5-8,12H,9-10H2,1-4H3/t12-/m1/s1