4-[(Z)-[2-(cyclohexylamino)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[2-(cyclohexylamino)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[2-(cyclohexylamino)-4-oxo-thiazol-5-ylidene]methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[2-(cyclohexylamino)-4-oxo-5-thiazolylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[2-(cyclohexylamino)-4-keto-2-thiazolin-5-ylidene]methyl]-2-nitro-phenolate Formula: C16H16N3O4S- MolecularWeight: 346.38094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=O)C(=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])S2

Isomeric SMILES

C1CCC(CC1)NC2=NC(=O)/C(=C/C3=CC(=C(C=C3)[O-])[N+](=O)[O-])/S2

InChI

InChI=1S/C16H17N3O4S/c20-13-7-6-10(8-12(13)19(22)23)9-14-15(21)18-16(24-14)17-11-4-2-1-3-5-11/h6-9,11,20H,1-5H2,(H,17,18,21)/p-1/b14-9-