3-(butanoylamino)-2-ethyl-4-nitro-benzoic acid

Systemtic Name: 3-(butanoylamino)-2-ethyl-4-nitro-benzoic acid Openeye Name: 3-(butanoylamino)-2-ethyl-4-nitro-benzoic acid CAS Name: 2-ethyl-4-nitro-3-(1-oxobutylamino)benzoic acid IUPAC Name: 3-(butanoylamino)-2-ethyl-4-nitrobenzoic acid Traditional Name: 3-butyramido-2-ethyl-4-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1CC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1CC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-3-5-11(16)14-12-8(4-2)9(13(17)18)6-7-10(12)15(19)20/h6-7H,3-5H2,1-2H3,(H,14,16)(H,17,18)