3-nitro-2-(pentanoylamino)benzoate

Systemtic Name: 3-nitro-2-(pentanoylamino)benzoate Openeye Name: 3-nitro-2-(pentanoylamino)benzoate CAS Name: 3-nitro-2-(1-oxopentylamino)benzoate IUPAC Name: 3-nitro-2-(pentanoylamino)benzoate Traditional Name: 3-nitro-2-(valerylamino)benzoate Formula: C12H13N2O5- MolecularWeight: 265.24202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-2-3-7-10(15)13-11-8(12(16)17)5-4-6-9(11)14(18)19/h4-6H,2-3,7H2,1H3,(H,13,15)(H,16,17)/p-1