4-[(Z)-[2,4-bis(oxidanylidene)-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-[2,4-bis(oxidanylidene)-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-(2,4-dioxo-3-prop-2-ynyl-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-(2,4-dioxo-3-prop-2-ynyl-5-thiazolidinylidene)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-(2,4-diketo-3-propargyl-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C14H9N2O6S- MolecularWeight: 333.29606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC#C

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC#C

InChI

InChI=1S/C14H10N2O6S/c1-3-4-15-13(18)11(23-14(15)19)7-8-5-9(16(20)21)12(17)10(6-8)22-2/h1,5-7,17H,4H2,2H3/p-1/b11-7-