5-[methyl(pentyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[methyl(pentyl)amino]-2-nitro-benzoic acid Openeye Name: 5-[methyl(pentyl)amino]-2-nitro-benzoic acid CAS Name: 5-[methyl(pentyl)amino]-2-nitrobenzoic acid IUPAC Name: 5-[methyl(pentyl)amino]-2-nitrobenzoic acid Traditional Name: 5-[amyl(methyl)amino]-2-nitro-benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-3-4-5-8-14(2)10-6-7-12(15(18)19)11(9-10)13(16)17/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)