4-(3,4-diethanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate

Systemtic Name: 4-(3,4-diethanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate Openeye Name: 4-(3,4-diacetyl-2,5-dimethyl-pyrrol-1-yl)benzoate CAS Name: 4-(3,4-diacetyl-2,5-dimethyl-1-pyrrolyl)benzoate IUPAC Name: 4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(3,4-diacetyl-2,5-dimethyl-pyrrol-1-yl)benzoate Formula: C17H16NO4- MolecularWeight: 298.31324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)C(=O)C)C(=O)C

Isomeric SMILES

CC1=C(C(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)C(=O)C)C(=O)C

InChI

InChI=1S/C17H17NO4/c1-9-15(11(3)19)16(12(4)20)10(2)18(9)14-7-5-13(6-8-14)17(21)22/h5-8H,1-4H3,(H,21,22)/p-1