methyl (2R)-1-[2-[(1S)-1-oxidanylethyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: methyl (2R)-1-[2-[(1S)-1-oxidanylethyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: methyl (2R)-1-[2-[(1S)-1-hydroxyethyl]-4-oxo-quinazolin-3-yl]aziridine-2-carboxylate CAS Name: (2R)-1-[2-[(1S)-1-hydroxyethyl]-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]aziridine-2-carboxylate Traditional Name: (2R)-1-[2-[(1S)-1-hydroxyethyl]-4-keto-quinazolin-3-yl]ethylenimine-2-carboxylic acid methyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2C(=O)N1N3C[C@@H]3C(=O)OC)O

InChI

InChI=1S/C14H15N3O4/c1-8(18)12-15-10-6-4-3-5-9(10)13(19)17(12)16-7-11(16)14(20)21-2/h3-6,8,11,18H,7H2,1-2H3/t8-,11+,16?/m0/s1