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

Systemtic Name: 4-[(4-nitrophenyl)amino]-4-oxidanylidene-2-(oxolan-2-yl)butanoic acid Openeye Name: 4-(4-nitroanilino)-4-oxo-2-tetrahydrofuran-2-yl-butanoic acid CAS Name: 4-(4-nitroanilino)-4-oxo-2-(2-oxolanyl)butanoic acid IUPAC Name: 4-(4-nitroanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid Traditional Name: 4-keto-4-(4-nitroanilino)-2-(tetrahydrofuryl)butyric acid Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6/c17-13(8-11(14(18)19)12-2-1-7-22-12)15-9-3-5-10(6-4-9)16(20)21/h3-6,11-12H,1-2,7-8H2,(H,15,17)(H,18,19)