tert-butyl 4-[3-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)pyrrol-1-yl]benzoate

Systemtic Name: tert-butyl 4-[3-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)pyrrol-1-yl]benzoate Openeye Name: tert-butyl 4-[3-(1-cyano-2-methoxy-2-oxo-ethyl)pyrrol-1-yl]benzoate CAS Name: 4-[3-(1-cyano-2-methoxy-2-oxoethyl)-1-pyrrolyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(1-cyano-2-methoxy-2-oxoethyl)pyrrol-1-yl]benzoate Traditional Name: 4-[3-(1-cyano-2-keto-2-methoxy-ethyl)pyrrol-1-yl]benzoic acid tert-butyl ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2C=CC(=C2)C(C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2C=CC(=C2)C(C#N)C(=O)OC

InChI

InChI=1S/C19H20N2O4/c1-19(2,3)25-17(22)13-5-7-15(8-6-13)21-10-9-14(12-21)16(11-20)18(23)24-4/h5-10,12,16H,1-4H3