3-(4-methylpentanoylamino)-5-nitro-benzoic acid

Systemtic Name: 3-(4-methylpentanoylamino)-5-nitro-benzoic acid Openeye Name: 3-(4-methylpentanoylamino)-5-nitro-benzoic acid CAS Name: 3-[(4-methyl-1-oxopentyl)amino]-5-nitrobenzoic acid IUPAC Name: 3-(4-methylpentanoylamino)-5-nitrobenzoic acid Traditional Name: 3-(4-methylpentanoylamino)-5-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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