4-[methyl(pentyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[methyl(pentyl)amino]-3-nitro-benzoic acid Openeye Name: 4-[methyl(pentyl)amino]-3-nitro-benzoic acid CAS Name: 4-[methyl(pentyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[methyl(pentyl)amino]-3-nitrobenzoic acid Traditional Name: 4-[amyl(methyl)amino]-3-nitro-benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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