3-nitro-4-(propanoylamino)benzoic acid

Systemtic Name: 3-nitro-4-(propanoylamino)benzoic acid Openeye Name: 3-nitro-4-(propanoylamino)benzoic acid CAS Name: 3-nitro-4-(1-oxopropylamino)benzoic acid IUPAC Name: 3-nitro-4-(propanoylamino)benzoic acid Traditional Name: 3-nitro-4-propionamido-benzoic acid Formula: C10H10N2O5 MolecularWeight: 238.1968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O5/c1-2-9(13)11-7-4-3-6(10(14)15)5-8(7)12(16)17/h3-5H,2H2,1H3,(H,11,13)(H,14,15)