ethynyl (3S)-3-morpholin-4-yl-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethynyl (3S)-3-morpholin-4-yl-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethynyl (3S)-3-morpholino-4-(2-nitroanilino)-4-oxo-butanoate CAS Name: (3S)-3-(4-morpholinyl)-4-(2-nitroanilino)-4-oxobutanoic acid ethynyl ester IUPAC Name: ethynyl (3S)-3-morpholin-4-yl-4-(2-nitroanilino)-4-oxobutanoate Traditional Name: (3S)-4-keto-3-morpholino-4-(2-nitroanilino)butyric acid ethynyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

C#COC(=O)CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

C#COC(=O)C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C16H17N3O6/c1-2-25-15(20)11-14(18-7-9-24-10-8-18)16(21)17-12-5-3-4-6-13(12)19(22)23/h1,3-6,14H,7-11H2,(H,17,21)/t14-/m0/s1