(2-nitro-5-oxidanyl-phenyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (2-nitro-5-oxidanyl-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (5-hydroxy-2-nitro-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (5-hydroxy-2-nitrophenyl) ester IUPAC Name: (5-hydroxy-2-nitrophenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (5-hydroxy-2-nitro-phenyl) ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-10(2)16(21)18-12-5-3-11(4-6-12)17(22)25-15-9-13(20)7-8-14(15)19(23)24/h3-10,20H,1-2H3,(H,18,21)