4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-(oxolan-2-ylmethylamino)butanoic acid

Systemtic Name: 4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-(oxolan-2-ylmethylamino)butanoic acid Openeye Name: 4-(2-nitroanilino)-4-oxo-2-(tetrahydrofuran-2-ylmethylamino)butanoic acid CAS Name: 4-(2-nitroanilino)-4-oxo-2-(2-oxolanylmethylamino)butanoic acid IUPAC Name: 4-(2-nitroanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid Traditional Name: 4-keto-4-(2-nitroanilino)-2-(tetrahydrofurfurylamino)butyric acid Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O6/c19-14(17-11-5-1-2-6-13(11)18(22)23)8-12(15(20)21)16-9-10-4-3-7-24-10/h1-2,5-6,10,12,16H,3-4,7-9H2,(H,17,19)(H,20,21)