[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H18BrNO5 MolecularWeight: 396.23252

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC=CN2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC=CN2)OC

InChI

InChI=1S/C17H18BrNO5/c1-3-7-23-16-12(18)8-11(9-15(16)22-2)17(21)24-10-14(20)13-5-4-6-19-13/h4-6,8-9,19H,3,7,10H2,1-2H3