4-methyl-5-nitro-benzene-1,3-diamine

Systemtic Name: 4-methyl-5-nitro-benzene-1,3-diamine Openeye Name: 4-methyl-5-nitro-benzene-1,3-diamine CAS Name: 4-methyl-5-nitrobenzene-1,3-diamine IUPAC Name: 4-methyl-5-nitrobenzene-1,3-diamine Traditional Name: (3-amino-4-methyl-5-nitro-phenyl)amine Formula: C7H9N3O2 MolecularWeight: 179.120512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])N)N

Isomeric SMILES

C[14C]1=[14C]([14CH]=[14C]([14CH]=[14C]1[N+](=O)[O-])N)N

InChI

InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3/i2+2,3+2,4+2,5+2,6+2,7+2