methyl (3S)-4-[(2-methoxy-4-nitro-phenyl)amino]-3-morpholin-4-yl-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-4-[(2-methoxy-4-nitro-phenyl)amino]-3-morpholin-4-yl-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-4-(2-methoxy-4-nitro-anilino)-3-morpholino-4-oxo-butanoate CAS Name: (3S)-4-(2-methoxy-4-nitroanilino)-3-(4-morpholinyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-4-(2-methoxy-4-nitroanilino)-3-morpholin-4-yl-4-oxobutanoate Traditional Name: (3S)-4-keto-4-(2-methoxy-4-nitro-anilino)-3-morpholino-butyric acid methyl ester Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(CC(=O)OC)N2CCOCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](CC(=O)OC)N2CCOCC2

InChI

InChI=1S/C16H21N3O7/c1-24-14-9-11(19(22)23)3-4-12(14)17-16(21)13(10-15(20)25-2)18-5-7-26-8-6-18/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,21)/t13-/m0/s1