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

Systemtic Name: [(2S)-4,5-bis(oxidanylidene)-1-pyridin-2-yl-2-pyridin-3-yl-pyrrolidin-3-ylidene]-(4-nitrophenyl)methanolate Openeye Name: [(2S)-4,5-dioxo-1-(2-pyridyl)-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-nitrophenyl)methanolate CAS Name: [(2S)-4,5-dioxo-1-(2-pyridinyl)-2-(3-pyridinyl)-3-pyrrolidinylidene]-(4-nitrophenyl)methanolate IUPAC Name: [(2S)-4,5-dioxo-1-pyridin-2-yl-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-nitrophenyl)methanolate Traditional Name: [(2S)-4,5-diketo-1-(2-pyridyl)-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-nitrophenyl)methanolate Formula: C21H13N4O5- MolecularWeight: 401.35172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C(C(=C(C3=CC=C(C=C3)[N+](=O)[O-])[O-])C(=O)C2=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=NC(=C1)N2[C@H](C(=C(C3=CC=C(C=C3)[N+](=O)[O-])[O-])C(=O)C2=O)C4=CN=CC=C4

InChI

InChI=1S/C21H14N4O5/c26-19(13-6-8-15(9-7-13)25(29)30)17-18(14-4-3-10-22-12-14)24(21(28)20(17)27)16-5-1-2-11-23-16/h1-12,18,26H/p-1/t18-/m0/s1