4-(4-chloranyl-3-nitro-phenyl)-3-(hydroxymethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)-3-(hydroxymethyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chloro-3-nitro-phenyl)-3-(hydroxymethyl)-4-oxo-butanoic acid CAS Name: 4-(4-chloro-3-nitrophenyl)-3-(hydroxymethyl)-4-oxobutanoic acid IUPAC Name: 4-(4-chloro-3-nitrophenyl)-3-(hydroxymethyl)-4-oxobutanoic acid Traditional Name: 4-(4-chloro-3-nitro-phenyl)-4-keto-3-methylol-butyric acid Formula: C11H10ClNO6 MolecularWeight: 287.6532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C(CC(=O)O)CO)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C(CC(=O)O)CO)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H10ClNO6/c12-8-2-1-6(3-9(8)13(18)19)11(17)7(5-14)4-10(15)16/h1-3,7,14H,4-5H2,(H,15,16)