ethyl (2R,3S)-2-methyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]-3-(2-nitrophenyl)aziridine-2-carboxylate

Systemtic Name: ethyl (2R,3S)-2-methyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]-3-(2-nitrophenyl)aziridine-2-carboxylate Openeye Name: ethyl (2R,3S)-1-(2-isobutyl-4-oxo-quinazolin-3-yl)-2-methyl-3-(2-nitrophenyl)aziridine-2-carboxylate CAS Name: (2R,3S)-2-methyl-1-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-3-(2-nitrophenyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-methyl-1-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-3-(2-nitrophenyl)aziridine-2-carboxylate Traditional Name: (2R,3S)-1-(2-isobutyl-4-keto-quinazolin-3-yl)-2-methyl-3-(2-nitrophenyl)ethylenimine-2-carboxylic acid ethyl ester Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@]1([C@@H](N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C24H26N4O5/c1-5-33-23(30)24(4)21(17-11-7-9-13-19(17)28(31)32)27(24)26-20(14-15(2)3)25-18-12-8-6-10-16(18)22(26)29/h6-13,15,21H,5,14H2,1-4H3/t21-,24+,27?/m0/s1