2-[4-(6-nitro-4-oxidanylidene-1-propyl-2-sulfanylidene-quinazolin-3-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(6-nitro-4-oxidanylidene-1-propyl-2-sulfanylidene-quinazolin-3-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(6-nitro-4-oxo-1-propyl-2-thioxo-quinazolin-3-yl)phenyl]acetic acid CAS Name: 2-[4-(6-nitro-4-oxo-1-propyl-2-sulfanylidene-3-quinazolinyl)phenyl]acetic acid IUPAC Name: 2-[4-(6-nitro-4-oxo-1-propyl-2-sulfanylidenequinazolin-3-yl)phenyl]acetic acid Traditional Name: 2-[4-(4-keto-6-nitro-1-propyl-2-thioxo-quinazolin-3-yl)phenyl]acetic acid Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=S)C3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=S)C3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C19H17N3O5S/c1-2-9-20-16-8-7-14(22(26)27)11-15(16)18(25)21(19(20)28)13-5-3-12(4-6-13)10-17(23)24/h3-8,11H,2,9-10H2,1H3,(H,23,24)