4-[(Z)-[2-[(4-ethoxycarbonylphenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-[2-[(4-ethoxycarbonylphenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-[2-(4-ethoxycarbonylanilino)-4-oxo-thiazol-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-[2-(4-ethoxycarbonylanilino)-4-oxo-5-thiazolylidene]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-[2-(4-ethoxycarbonylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-[2-(4-carbethoxyanilino)-4-keto-2-thiazolin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C20H16N3O7S- MolecularWeight: 442.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])S2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])/S2

InChI

InChI=1S/C20H17N3O7S/c1-3-30-19(26)12-4-6-13(7-5-12)21-20-22-18(25)16(31-20)10-11-8-14(23(27)28)17(24)15(9-11)29-2/h4-10,24H,3H2,1-2H3,(H,21,22,25)/p-1/b16-10-