4-(3-methylbutylamino)-3-nitro-benzoate

Systemtic Name: 4-(3-methylbutylamino)-3-nitro-benzoate Openeye Name: 4-(isopentylamino)-3-nitro-benzoate CAS Name: 4-(3-methylbutylamino)-3-nitrobenzoate IUPAC Name: 4-(3-methylbutylamino)-3-nitrobenzoate Traditional Name: 4-(isoamylamino)-3-nitro-benzoate Formula: C12H15N2O4- MolecularWeight: 251.2585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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