4-[(E)-(3-cyclohexyl-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-(3-cyclohexyl-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-(3-cyclohexyl-4-oxo-2-phenylimino-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-(3-cyclohexyl-4-oxo-2-phenylimino-5-thiazolidinylidene)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-(3-cyclohexyl-4-keto-2-phenylimino-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C23H22N3O5S- MolecularWeight: 452.50288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)C4CCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\C(=O)N(C(=NC3=CC=CC=C3)S2)C4CCCCC4

InChI

InChI=1S/C23H23N3O5S/c1-31-19-13-15(12-18(21(19)27)26(29)30)14-20-22(28)25(17-10-6-3-7-11-17)23(32-20)24-16-8-4-2-5-9-16/h2,4-5,8-9,12-14,17,27H,3,6-7,10-11H2,1H3/p-1/b20-14+,24-23?