4-[[3-(dihydroxyboranyl)-4-nitro-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(dihydroxyboranyl)-4-nitro-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-borono-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(3-borono-4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 4-(3-borono-4-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-(3-borono-4-nitro-anilino)-4-keto-butyric acid Formula: C10H11BN2O7 MolecularWeight: 282.01454

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=CC(=C1)NC(=O)CCC(=O)O)[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=C(C=CC(=C1)NC(=O)CCC(=O)O)[N+](=O)[O-])(O)O

InChI

InChI=1S/C10H11BN2O7/c14-9(3-4-10(15)16)12-6-1-2-8(13(19)20)7(5-6)11(17)18/h1-2,5,17-18H,3-4H2,(H,12,14)(H,15,16)