3,5-bis(azanyl)-4-chloranyl-2-(2-methylpropyl)benzoate

Systemtic Name: 3,5-bis(azanyl)-4-chloranyl-2-(2-methylpropyl)benzoate Openeye Name: 3,5-diamino-4-chloro-2-isobutyl-benzoate CAS Name: 3,5-diamino-4-chloro-2-(2-methylpropyl)benzoate IUPAC Name: 3,5-diamino-4-chloro-2-(2-methylpropyl)benzoate Traditional Name: 3,5-diamino-4-chloro-2-isobutyl-benzoate Formula: C11H14ClN2O2- MolecularWeight: 241.69406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=C(C=C1C(=O)[O-])N)Cl)N

Isomeric SMILES

CC(C)CC1=C(C(=C(C=C1C(=O)[O-])N)Cl)N

InChI

InChI=1S/C11H15ClN2O2/c1-5(2)3-6-7(11(15)16)4-8(13)9(12)10(6)14/h4-5H,3,13-14H2,1-2H3,(H,15,16)/p-1