[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C

InChI

InChI=1S/C20H24N2O7/c1-6-7-21-12(2)8-14(13(21)3)17(23)11-29-20(24)15-9-18(27-4)19(28-5)10-16(15)22(25)26/h8-10H,6-7,11H2,1-5H3