2-[1-(3-chloranylpropyl)-3-methyl-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]ethanoate

Systemtic Name: 2-[1-(3-chloranylpropyl)-3-methyl-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]ethanoate Openeye Name: 2-[1-(3-chloropropyl)-3-methyl-2,4-dioxo-quinazolin-3-ium-3-yl]acetate CAS Name: 2-[1-(3-chloropropyl)-3-methyl-2,4-dioxo-3-quinazolin-3-iumyl]acetate IUPAC Name: 2-[1-(3-chloropropyl)-3-methyl-2,4-dioxoquinazolin-3-ium-3-yl]acetate Traditional Name: 2-[1-(3-chloropropyl)-2,4-diketo-3-methyl-quinazolin-3-ium-3-yl]acetate Formula: C14H15ClN2O4 MolecularWeight: 310.7329

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C2=CC=CC=C2N(C1=O)CCCCl)CC(=O)[O-]

Isomeric SMILES

C[N+]1(C(=O)C2=CC=CC=C2N(C1=O)CCCCl)CC(=O)[O-]

InChI

InChI=1S/C14H15ClN2O4/c1-17(9-12(18)19)13(20)10-5-2-3-6-11(10)16(14(17)21)8-4-7-15/h2-3,5-6H,4,7-9H2,1H3