[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N2O6S/c1-4-28-16-7-5-15(6-8-16)22-13(2)11-17(14(22)3)18(24)12-29-21(25)19-9-10-20(30-19)23(26)27/h5-11H,4,12H2,1-3H3