4-[ethyl(2-methylpropyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[ethyl(2-methylpropyl)amino]-3-nitro-benzoic acid Openeye Name: 4-[ethyl(isobutyl)amino]-3-nitro-benzoic acid CAS Name: 4-[ethyl(2-methylpropyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[ethyl(2-methylpropyl)amino]-3-nitrobenzoic acid Traditional Name: 4-[ethyl(isobutyl)amino]-3-nitro-benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-4-14(8-9(2)3)11-6-5-10(13(16)17)7-12(11)15(18)19/h5-7,9H,4,8H2,1-3H3,(H,16,17)