6,8-bis(chloranyl)-3-(4-methoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6,8-bis(chloranyl)-3-(4-methoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6,8-dichloro-3-(4-methoxy-3-nitro-benzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 6,8-dichloro-3-[(4-methoxy-3-nitrophenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6,8-dichloro-3-(4-methoxy-3-nitrobenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6,8-dichloro-3-(4-methoxy-3-nitro-benzoyl)-2-thioxo-quinazolin-4-olate Formula: C16H8Cl2N3O5S- MolecularWeight: 425.22282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=C3C=C(C=C(C3=NC2=S)Cl)Cl)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=C3C=C(C=C(C3=NC2=S)Cl)Cl)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H9Cl2N3O5S/c1-26-12-3-2-7(4-11(12)21(24)25)14(22)20-15(23)9-5-8(17)6-10(18)13(9)19-16(20)27/h2-6,23H,1H3/p-1