butyl 2-[4,5-bis(chloranyl)-1a,3-dihydro-1H-[1,2]diazirino[1,3-a]quinazolin-2-yl]ethanoate hydrochloride

Systemtic Name: butyl 2-[4,5-bis(chloranyl)-1a,3-dihydro-1H-[1,2]diazirino[1,3-a]quinazolin-2-yl]ethanoate hydrochloride Openeye Name: butyl 2-(4,5-dichloro-1a,3-dihydro-1H-diazirino[1,3-a]quinazolin-2-yl)acetate hydrochloride CAS Name: 2-(4,5-dichloro-1a,3-dihydro-1H-diazirino[1,3-a]quinazolin-2-yl)acetic acid butyl ester hydrochloride IUPAC Name: butyl 2-(4,5-dichloro-1a,3-dihydro-1H-diazirino[1,3-a]quinazolin-2-yl)acetate hydrochloride Traditional Name: 2-(4,5-dichloro-1a,3-dihydro-1H-diazirino[1,3-a]quinazolin-2-yl)acetic acid butyl ester hydrochloride Formula: C14H18Cl3N3O2 MolecularWeight: 366.67062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1CC2=C(C=CC(=C2Cl)Cl)N3C1N3.Cl

Isomeric SMILES

CCCCOC(=O)CN1CC2=C(C=CC(=C2Cl)Cl)N3C1N3.Cl

InChI

InChI=1S/C14H17Cl2N3O2.ClH/c1-2-3-6-21-12(20)8-18-7-9-11(19-14(18)17-19)5-4-10(15)13(9)16;/h4-5,14,17H,2-3,6-8H2,1H3;1H