2-(3-methylbutylamino)-6-nitro-benzoic acid

Systemtic Name: 2-(3-methylbutylamino)-6-nitro-benzoic acid Openeye Name: 2-(isopentylamino)-6-nitro-benzoic acid CAS Name: 2-(3-methylbutylamino)-6-nitrobenzoic acid IUPAC Name: 2-(3-methylbutylamino)-6-nitrobenzoic acid Traditional Name: 2-(isoamylamino)-6-nitro-benzoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CCNC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H16N2O4/c1-8(2)6-7-13-9-4-3-5-10(14(17)18)11(9)12(15)16/h3-5,8,13H,6-7H2,1-2H3,(H,15,16)