ethyl 4-[3-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(E)-3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NCC=C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NCC=C)C

InChI

InChI=1S/C22H23N3O3/c1-5-11-24-21(26)19(14-23)13-18-12-15(3)25(16(18)4)20-9-7-17(8-10-20)22(27)28-6-2/h5,7-10,12-13H,1,6,11H2,2-4H3,(H,24,26)/b19-13+