2-methoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-thiazol-5-ylidene)methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-[2-(4-morpholin-4-iumyl)-4-oxo-5-thiazolylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]-6-nitrophenolate Traditional Name: 4-[(E)-(4-keto-2-morpholin-4-ium-4-yl-2-thiazolin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)N=C(S2)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\C(=O)N=C(S2)[NH+]3CCOCC3

InChI

InChI=1S/C15H15N3O6S/c1-23-11-7-9(6-10(13(11)19)18(21)22)8-12-14(20)16-15(25-12)17-2-4-24-5-3-17/h6-8,19H,2-5H2,1H3/b12-8+