methyl 5-nitro-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-benzoate

Systemtic Name: methyl 5-nitro-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-benzoate Openeye Name: methyl 5-nitro-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-benzoate CAS Name: 5-nitro-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbenzoate Traditional Name: 2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-5-nitro-benzoic acid methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H17N3O5S/c1-3-10-21-17(23)13-6-4-5-7-15(13)20-19(21)28-16-9-8-12(22(25)26)11-14(16)18(24)27-2/h4-9,11H,3,10H2,1-2H3