[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC=CC=C2)C

Isomeric SMILES

C/C=C/C(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC=CC=C2)C

InChI

InChI=1S/C18H19NO3/c1-4-8-18(21)22-12-17(20)16-11-13(2)19(14(16)3)15-9-6-5-7-10-15/h4-11H,12H2,1-3H3/b8-4+