2-methyl-3-nitro-benzoic acid; pentanamide

Systemtic Name: 2-methyl-3-nitro-benzoic acid; pentanamide Openeye Name: 2-methyl-3-nitro-benzoic acid; pentanamide CAS Name: 2-methyl-3-nitrobenzoic acid; pentanamide IUPAC Name: 2-methyl-3-nitrobenzoic acid; pentanamide Traditional Name: 2-methyl-3-nitro-benzoic acid; valeramide Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N.CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCC(=O)N.CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H7NO4.C5H11NO/c1-5-6(8(10)11)3-2-4-7(5)9(12)13;1-2-3-4-5(6)7/h2-4H,1H3,(H,10,11);2-4H2,1H3,(H2,6,7)