2-(3-methylbutylamino)-5-nitro-benzoate

Systemtic Name: 2-(3-methylbutylamino)-5-nitro-benzoate Openeye Name: 2-(isopentylamino)-5-nitro-benzoate CAS Name: 2-(3-methylbutylamino)-5-nitrobenzoate IUPAC Name: 2-(3-methylbutylamino)-5-nitrobenzoate Traditional Name: 2-(isoamylamino)-5-nitro-benzoate Formula: C12H15N2O4- MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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