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

Systemtic Name: methyl 4-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N2O6/c1-5-19-11(2)8-14(12(19)3)16(21)10-26-17-7-6-13(18(22)25-4)9-15(17)20(23)24/h6-9H,5,10H2,1-4H3