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

Systemtic Name: 4-[(E)-(3-cyclopentyl-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-(3-cyclopentyl-4-oxo-2-phenylimino-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-(3-cyclopentyl-4-oxo-2-phenylimino-5-thiazolidinylidene)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-(3-cyclopentyl-4-keto-2-phenylimino-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C22H20N3O5S- MolecularWeight: 438.4763

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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)C4CCCC4

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\C(=O)N(C(=NC3=CC=CC=C3)S2)C4CCCC4

InChI

InChI=1S/C22H21N3O5S/c1-30-18-12-14(11-17(20(18)26)25(28)29)13-19-21(27)24(16-9-5-6-10-16)22(31-19)23-15-7-3-2-4-8-15/h2-4,7-8,11-13,16,26H,5-6,9-10H2,1H3/p-1/b19-13+,23-22?