methyl 4-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7/c1-9-16(11(3)22)10(2)20-17(9)18(23)12(4)28-15-7-6-13(19(24)27-5)8-14(15)21(25)26/h6-8,12,20H,1-5H3/t12-/m0/s1