ethyl 2-[2-azanyl-5,6-bis(chloranyl)-1,4-dihydroquinazolin-3-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-5,6-bis(chloranyl)-1,4-dihydroquinazolin-3-ium-3-yl]ethanoate Openeye Name: ethyl 2-(2-amino-5,6-dichloro-1,4-dihydroquinazolin-3-ium-3-yl)acetate CAS Name: 2-(2-amino-5,6-dichloro-1,4-dihydroquinazolin-3-ium-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-5,6-dichloro-1,4-dihydroquinazolin-3-ium-3-yl)acetate Traditional Name: 2-(2-amino-5,6-dichloro-1,4-dihydroquinazolin-3-ium-3-yl)acetic acid ethyl ester Formula: C12H14Cl2N3O2+ MolecularWeight: 303.16446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(NC2=C(C1)C(=C(C=C2)Cl)Cl)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(NC2=C(C1)C(=C(C=C2)Cl)Cl)N

InChI

InChI=1S/C12H13Cl2N3O2/c1-2-19-10(18)6-17-5-7-9(16-12(17)15)4-3-8(13)11(7)14/h3-4H,2,5-6H2,1H3,(H2,15,16)/p+1