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

Systemtic Name: [(2S)-1-hexyl-2-(3-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-1-hexyl-2-(3-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-1-hexyl-2-(3-nitrophenyl)-4,5-dioxo-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-1-hexyl-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-1-hexyl-4,5-diketo-2-(3-nitrophenyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C23H23N2O5- MolecularWeight: 407.43912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C(=C(C2=CC=CC=C2)[O-])C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1[C@H](C(=C(C2=CC=CC=C2)[O-])C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O5/c1-2-3-4-8-14-24-20(17-12-9-13-18(15-17)25(29)30)19(22(27)23(24)28)21(26)16-10-6-5-7-11-16/h5-7,9-13,15,20,26H,2-4,8,14H2,1H3/p-1/t20-/m0/s1