3-methyl-5-nitro-4-(propanoylamino)benzoic acid

Systemtic Name: 3-methyl-5-nitro-4-(propanoylamino)benzoic acid Openeye Name: 3-methyl-5-nitro-4-(propanoylamino)benzoic acid CAS Name: 3-methyl-5-nitro-4-(1-oxopropylamino)benzoic acid IUPAC Name: 3-methyl-5-nitro-4-(propanoylamino)benzoic acid Traditional Name: 3-methyl-5-nitro-4-propionamido-benzoic acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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