4-[6-nitro-4-oxidanylidene-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[6-nitro-4-oxidanylidene-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]benzoic acid Openeye Name: 4-[6-nitro-4-oxo-2-thioxo-1-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]benzoic acid CAS Name: 4-[6-nitro-4-oxo-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-3-quinazolinyl]benzoic acid IUPAC Name: 4-[6-nitro-4-oxo-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]benzoic acid Traditional Name: 4-[4-keto-6-nitro-2-thioxo-1-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]benzoic acid Formula: C24H19N3O8S MolecularWeight: 509.48796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=S)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=S)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H19N3O8S/c1-33-19-11-16(12-20(34-2)21(19)35-3)25-18-9-8-15(27(31)32)10-17(18)22(28)26(24(25)36)14-6-4-13(5-7-14)23(29)30/h4-12H,1-3H3,(H,29,30)