N,N'-bis(3-methyl-4-nitro-phenyl)heptane-1,7-diamine

Systemtic Name: N,N'-bis(3-methyl-4-nitro-phenyl)heptane-1,7-diamine Openeye Name: N,N'-bis(3-methyl-4-nitro-phenyl)heptane-1,7-diamine CAS Name: N,N'-bis(3-methyl-4-nitrophenyl)heptane-1,7-diamine IUPAC Name: N,N'-bis(3-methyl-4-nitrophenyl)heptane-1,7-diamine Traditional Name: 7-(3-methyl-4-nitro-anilino)heptyl-(3-methyl-4-nitro-phenyl)amine Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCCCCCCCNC2=CC(=C(C=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NCCCCCCCNC2=CC(=C(C=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4/c1-16-14-18(8-10-20(16)24(26)27)22-12-6-4-3-5-7-13-23-19-9-11-21(25(28)29)17(2)15-19/h8-11,14-15,22-23H,3-7,12-13H2,1-2H3