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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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