(2E)-2-[[[5-(4-tert-butylphenyl)-1-methyl-pyrrol-2-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[[[5-(4-tert-butylphenyl)-1-methyl-pyrrol-2-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[[[5-(4-tert-butylphenyl)-1-methyl-pyrrol-2-yl]amino]-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[[[5-(4-tert-butylphenyl)-1-methyl-2-pyrrolyl]amino]-hydroxymethylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[[[5-(4-tert-butylphenyl)-1-methylpyrrol-2-yl]amino]-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-[[5-(4-tert-butylphenyl)-1-methyl-pyrrol-2-yl]amino]-3-hydroxy-acrylonitrile Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=CC=C(N1C)C2=CC=C(C=C2)C(C)(C)C)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=CC=C(N1C)C2=CC=C(C=C2)C(C)(C)C)/O)/C#N

InChI

InChI=1S/C20H23N3O2/c1-13(24)16(12-21)19(25)22-18-11-10-17(23(18)5)14-6-8-15(9-7-14)20(2,3)4/h6-11,22,25H,1-5H3/b19-16+