(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]acetate CAS Name: 2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetate Traditional Name: 2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H24N2O6 MolecularWeight: 436.45716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)CC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)CC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

InChI

InChI=1S/C24H24N2O6/c1-15-4-6-21(7-5-15)25-16(2)8-18(17(25)3)11-23(27)31-13-20-10-22(26(28)29)9-19-12-30-14-32-24(19)20/h4-10H,11-14H2,1-3H3