N1,2-dimethyl-5-nitro-benzene-1,4-diamine

Systemtic Name: N1,2-dimethyl-5-nitro-benzene-1,4-diamine Openeye Name: N1,2-dimethyl-5-nitro-benzene-1,4-diamine CAS Name: N1,2-dimethyl-5-nitrobenzene-1,4-diamine IUPAC Name: 1-N,2-dimethyl-5-nitrobenzene-1,4-diamine Traditional Name: (4-amino-2-methyl-5-nitro-phenyl)-methyl-amine Formula: C8H11N3O2 MolecularWeight: 181.19184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=C(C=C1NC)[N+](=O)[O-])N

InChI

InChI=1S/C8H11N3O2/c1-5-3-6(9)8(11(12)13)4-7(5)10-2/h3-4,10H,9H2,1-2H3