methyl 4-[(E)-3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H21NO6/c1-12-19(14(3)23)13(2)22-20(12)17(24)11-28-18(25)10-7-15-5-8-16(9-6-15)21(26)27-4/h5-10,22H,11H2,1-4H3/b10-7+