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

Systemtic Name: [(2S)-1-butyl-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-1-butyl-2-(4-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-1-butyl-2-(4-nitrophenyl)-4,5-dioxo-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-1-butyl-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-1-butyl-4,5-diketo-2-(4-nitrophenyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C21H19N2O5- MolecularWeight: 379.38596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-2-3-13-22-18(14-9-11-16(12-10-14)23(27)28)17(20(25)21(22)26)19(24)15-7-5-4-6-8-15/h4-12,18,24H,2-3,13H2,1H3/p-1/t18-/m0/s1