ethyl 3-[[1-oxidanylidene-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[[1-oxidanylidene-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[2-(allylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[2-(allylamino)-1-benzyl-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC=C

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC=C

InChI

InChI=1S/C18H23N3O4/c1-3-10-19-16(22)13(11-12-8-6-5-7-9-12)20-17(23)14-15(21-14)18(24)25-4-2/h3,5-9,13-15,21H,1,4,10-11H2,2H3,(H,19,22)(H,20,23)