3-(4-methoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(4-methoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(4-methoxy-3-nitro-benzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-methoxy-3-nitrophenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(4-methoxy-3-nitrobenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-methoxy-3-nitro-benzoyl)-2-thioxo-quinazolin-4-olate Formula: C16H10N3O5S- MolecularWeight: 356.3327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=C3C=CC=CC3=NC2=S)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=C3C=CC=CC3=NC2=S)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5S/c1-24-13-7-6-9(8-12(13)19(22)23)14(20)18-15(21)10-4-2-3-5-11(10)17-16(18)25/h2-8,21H,1H3/p-1