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

Systemtic Name: methyl 4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-14-11-18(15(2)23(14)17-7-5-4-6-8-17)20(25)13-30-21-10-9-16(22(26)29-3)12-19(21)24(27)28/h4-12H,13H2,1-3H3