4-chloranyl-2-[(Z)-(2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(Z)-(2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(Z)-(2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(Z)-(2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(Z)-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(Z)-(4-keto-2-methyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-6-nitro-phenolate Formula: C14H8ClN4O4S- MolecularWeight: 363.75572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CS2)C(=O)N1N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC2=C(C=CS2)C(=O)N1/N=C\C3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C14H9ClN4O4S/c1-7-17-13-10(2-3-24-13)14(21)18(7)16-6-8-4-9(15)5-11(12(8)20)19(22)23/h2-6,20H,1H3/p-1/b16-6-