3-(butanoylamino)-5-nitro-benzoic acid

Systemtic Name: 3-(butanoylamino)-5-nitro-benzoic acid Openeye Name: 3-(butanoylamino)-5-nitro-benzoic acid CAS Name: 3-nitro-5-(1-oxobutylamino)benzoic acid IUPAC Name: 3-(butanoylamino)-5-nitrobenzoic acid Traditional Name: 3-butyramido-5-nitro-benzoic acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-2-3-10(14)12-8-4-7(11(15)16)5-9(6-8)13(17)18/h4-6H,2-3H2,1H3,(H,12,14)(H,15,16)