2-[4-bromanyl-3-[(3E)-3-prop-2-enoxyiminobutan-2-yl]oxy-phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-bromanyl-3-[(3E)-3-prop-2-enoxyiminobutan-2-yl]oxy-phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-[(2E)-2-allyloxyimino-1-methyl-propoxy]-4-bromo-phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-bromo-3-[(3E)-3-prop-2-enoxyiminobutan-2-yl]oxyphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-bromo-3-[(3E)-3-prop-2-enoxyiminobutan-2-yl]oxyphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-[(2E)-2-allyloximino-1-methyl-propoxy]-4-bromo-phenyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NOCC=C)C)OC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Br

Isomeric SMILES

CC(/C(=N/OCC=C)/C)OC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Br

InChI

InChI=1S/C21H23BrN2O4/c1-4-11-27-23-13(2)14(3)28-19-12-15(9-10-18(19)22)24-20(25)16-7-5-6-8-17(16)21(24)26/h4,9-10,12,14H,1,5-8,11H2,2-3H3/b23-13+