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

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzoate Traditional Name: 4-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c1-10-7-13(11(2)18(10)3)15(20)9-25-16-6-5-12(17(21)24-4)8-14(16)19(22)23/h5-8H,9H2,1-4H3