3-(4-ethoxy-3-nitro-phenyl)carbonyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(4-ethoxy-3-nitro-phenyl)carbonyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(4-ethoxy-3-nitro-benzoyl)-6-iodo-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-6-iodo-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(4-ethoxy-3-nitrobenzoyl)-6-iodo-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-ethoxy-3-nitro-benzoyl)-6-iodo-2-thioxo-quinazolin-4-olate Formula: C17H11IN3O5S- MolecularWeight: 496.25581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12IN3O5S/c1-2-26-14-6-3-9(7-13(14)21(24)25)15(22)20-16(23)11-8-10(18)4-5-12(11)19-17(20)27/h3-8,23H,2H2,1H3/p-1