(pentanoylamino) 2-methyl-3-nitro-benzoate

Systemtic Name: (pentanoylamino) 2-methyl-3-nitro-benzoate Openeye Name: (pentanoylamino) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (1-oxopentylamino) ester IUPAC Name: (pentanoylamino) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (valerylamino) ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-3-4-8-12(16)14-20-13(17)10-6-5-7-11(9(10)2)15(18)19/h5-7H,3-4,8H2,1-2H3,(H,14,16)