4-[(E)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(E)-(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(E)-(2-amino-4-oxo-5-thiazolylidene)methyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(E)-(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-ethoxy-6-nitro-phenolate Formula: C12H10N3O5S- MolecularWeight: 308.2899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)N=C(S2)N

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\C(=O)N=C(S2)N

InChI

InChI=1S/C12H11N3O5S/c1-2-20-8-4-6(3-7(10(8)16)15(18)19)5-9-11(17)14-12(13)21-9/h3-5,16H,2H2,1H3,(H2,13,14,17)/p-1/b9-5+