4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(oxolan-2-ylmethylamino)butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(oxolan-2-ylmethylamino)butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-4-oxo-2-(tetrahydrofuran-2-ylmethylamino)butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(2-oxolanylmethylamino)butanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-(tetrahydrofurfurylamino)butyric acid Formula: C15H18ClN3O6 MolecularWeight: 371.77292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C15H18ClN3O6/c16-11-4-3-9(19(23)24)6-12(11)18-14(20)7-13(15(21)22)17-8-10-2-1-5-25-10/h3-4,6,10,13,17H,1-2,5,7-8H2,(H,18,20)(H,21,22)