methyl 1-[2-[1,1-bis(chloranyl)ethyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: methyl 1-[2-[1,1-bis(chloranyl)ethyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: methyl 1-[2-(1,1-dichloroethyl)-4-oxo-quinazolin-3-yl]aziridine-2-carboxylate CAS Name: 1-[2-(1,1-dichloroethyl)-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1,1-dichloroethyl)-4-oxoquinazolin-3-yl]aziridine-2-carboxylate Traditional Name: 1-[2-(1,1-dichloroethyl)-4-keto-quinazolin-3-yl]ethylenimine-2-carboxylic acid methyl ester Formula: C14H13Cl2N3O3 MolecularWeight: 342.17732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1N3CC3C(=O)OC)(Cl)Cl

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=O)N1N3CC3C(=O)OC)(Cl)Cl

InChI

InChI=1S/C14H13Cl2N3O3/c1-14(15,16)13-17-9-6-4-3-5-8(9)11(20)19(13)18-7-10(18)12(21)22-2/h3-6,10H,7H2,1-2H3