2-butyl-4-nitro-6-(propan-2-yloxycarbonylamino)benzoic acid

Systemtic Name: 2-butyl-4-nitro-6-(propan-2-yloxycarbonylamino)benzoic acid Openeye Name: 2-butyl-6-(isopropoxycarbonylamino)-4-nitro-benzoic acid CAS Name: 2-butyl-4-nitro-6-[[oxo(propan-2-yloxy)methyl]amino]benzoic acid IUPAC Name: 2-butyl-4-nitro-6-(propan-2-yloxycarbonylamino)benzoic acid Traditional Name: 2-butyl-6-(isopropoxycarbonylamino)-4-nitro-benzoic acid Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1C(=O)O)NC(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=CC(=C1C(=O)O)NC(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6/c1-4-5-6-10-7-11(17(21)22)8-12(13(10)14(18)19)16-15(20)23-9(2)3/h7-9H,4-6H2,1-3H3,(H,16,20)(H,18,19)