2-[3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H20N2O7/c1-3-5-13-8-9-17(18(10-13)29-2)30-12-14(24)11-22-20(25)15-6-4-7-16(23(27)28)19(15)21(22)26/h3-4,6-10,14,24H,1,5,11-12H2,2H3