[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H22N2O8 MolecularWeight: 466.44008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)COC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)COC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O8/c1-14-10-18(15(2)25(14)17-5-7-22-23(12-17)33-9-8-32-22)20(27)13-34-24(28)16-4-6-21(31-3)19(11-16)26(29)30/h4-7,10-12H,8-9,13H2,1-3H3