4-[3-[(4-cyanophenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate

Systemtic Name: 4-[3-[(4-cyanophenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate Openeye Name: 4-[3-[(4-cyanophenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate CAS Name: 4-[3-[(4-cyanophenyl)iminomethyl]-2,5-dimethyl-1-pyrrolyl]-3-methylbenzoate IUPAC Name: 4-[3-[(4-cyanophenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoate Traditional Name: 4-[3-[(4-cyanophenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate Formula: C22H18N3O2- MolecularWeight: 356.39722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)[O-])C)C)C=NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)[O-])C)C)C=NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H19N3O2/c1-14-10-18(22(26)27)6-9-21(14)25-15(2)11-19(16(25)3)13-24-20-7-4-17(12-23)5-8-20/h4-11,13H,1-3H3,(H,26,27)/p-1