5-(2-ethylbutyl)-4-methyl-3-nitro-benzene-1,2-diamine

Systemtic Name: 5-(2-ethylbutyl)-4-methyl-3-nitro-benzene-1,2-diamine Openeye Name: 5-(2-ethylbutyl)-4-methyl-3-nitro-benzene-1,2-diamine CAS Name: 5-(2-ethylbutyl)-4-methyl-3-nitrobenzene-1,2-diamine IUPAC Name: 5-(2-ethylbutyl)-4-methyl-3-nitrobenzene-1,2-diamine Traditional Name: [2-amino-5-(2-ethylbutyl)-4-methyl-3-nitro-phenyl]amine Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2/c1-4-9(5-2)6-10-7-11(14)12(15)13(8(10)3)16(17)18/h7,9H,4-6,14-15H2,1-3H3