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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O6/c1-5-8-20-12(2)9-15(13(20)3)17(22)11-27-18-7-6-14(19(23)26-4)10-16(18)21(24)25/h6-7,9-10H,5,8,11H2,1-4H3