3-(butanoylamino)-2-ethyl-4-nitro-benzoate

Systemtic Name: 3-(butanoylamino)-2-ethyl-4-nitro-benzoate Openeye Name: 3-(butanoylamino)-2-ethyl-4-nitro-benzoate CAS Name: 2-ethyl-4-nitro-3-(1-oxobutylamino)benzoate IUPAC Name: 3-(butanoylamino)-2-ethyl-4-nitrobenzoate Traditional Name: 3-butyramido-2-ethyl-4-nitro-benzoate Formula: C13H15N2O5- MolecularWeight: 279.2686

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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)/p-1