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

Systemtic Name: 4-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 4-[3-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 4-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C22H18N3O4- MolecularWeight: 388.39602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)C=C(C#N)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)/C=C(\C#N)/C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H19N3O4/c1-14-10-17(11-18(12-23)21(26)24-13-20-4-3-9-29-20)15(2)25(14)19-7-5-16(6-8-19)22(27)28/h3-11H,13H2,1-2H3,(H,24,26)(H,27,28)/p-1/b18-11+