4-[(2-chloranyl-5-nitro-phenyl)amino]-2-morpholin-4-yl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-morpholin-4-yl-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-morpholino-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(4-morpholinyl)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-morpholin-4-yl-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-morpholino-butyric acid Formula: C14H16ClN3O6 MolecularWeight: 357.74634

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1COCCN1C(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C14H16ClN3O6/c15-10-2-1-9(18(22)23)7-11(10)16-13(19)8-12(14(20)21)17-3-5-24-6-4-17/h1-2,7,12H,3-6,8H2,(H,16,19)(H,20,21)