[(2S)-1-butyl-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2S)-1-butyl-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-1-butyl-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-1-butyl-4,5-dioxo-2-phenyl-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-1-butyl-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-1-butyl-4,5-diketo-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C21H20NO3- MolecularWeight: 334.3884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C(C2=CC=CC=C2)[O-])C(=O)C1=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1[C@H](C(=C(C2=CC=CC=C2)[O-])C(=O)C1=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO3/c1-2-3-14-22-18(15-10-6-4-7-11-15)17(20(24)21(22)25)19(23)16-12-8-5-9-13-16/h4-13,18,23H,2-3,14H2,1H3/p-1/t18-/m0/s1