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

Systemtic Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O6/c1-12-9-15(5-6-17(12)21(24)25)19(23)27-11-18(22)16-10-13(2)20(14(16)3)7-8-26-4/h5-6,9-10H,7-8,11H2,1-4H3