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

Systemtic Name: 2-methoxy-4-[(E)-[2-[(2-methylphenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-[2-(2-methylanilino)-4-oxo-thiazol-5-ylidene]methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-[2-(2-methylanilino)-4-oxo-5-thiazolylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-[2-(2-methylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-6-nitrophenolate Traditional Name: 4-[(E)-[4-keto-2-(o-toluidino)-2-thiazolin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C18H14N3O5S- MolecularWeight: 384.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])S2

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=O)/C(=C\C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])/S2

InChI

InChI=1S/C18H15N3O5S/c1-10-5-3-4-6-12(10)19-18-20-17(23)15(27-18)9-11-7-13(21(24)25)16(22)14(8-11)26-2/h3-9,22H,1-2H3,(H,19,20,23)/p-1/b15-9+