4-[(Z)-[3-butyl-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[3-butyl-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-(3-butyl-2,4-dioxo-thiazolidin-5-ylidene)methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-(3-butyl-2,4-dioxo-5-thiazolidinylidene)methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-(3-butyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-(3-butyl-2,4-diketo-thiazolidin-5-ylidene)methyl]-2-nitro-phenolate Formula: C14H13N2O5S- MolecularWeight: 321.32842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])SC1=O

Isomeric SMILES

CCCCN1C(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/SC1=O

InChI

InChI=1S/C14H14N2O5S/c1-2-3-6-15-13(18)12(22-14(15)19)8-9-4-5-11(17)10(7-9)16(20)21/h4-5,7-8,17H,2-3,6H2,1H3/p-1/b12-8-