4-nitro-2-(propan-2-ylcarbamoylamino)benzoate

Systemtic Name: 4-nitro-2-(propan-2-ylcarbamoylamino)benzoate Openeye Name: 2-(isopropylcarbamoylamino)-4-nitro-benzoate CAS Name: 4-nitro-2-[[oxo-(propan-2-ylamino)methyl]amino]benzoate IUPAC Name: 4-nitro-2-(propan-2-ylcarbamoylamino)benzoate Traditional Name: 2-(isopropylcarbamoylamino)-4-nitro-benzoate Formula: C11H12N3O5- MolecularWeight: 266.23008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O5/c1-6(2)12-11(17)13-9-5-7(14(18)19)3-4-8(9)10(15)16/h3-6H,1-2H3,(H,15,16)(H2,12,13,17)/p-1