4,5-bis(fluoranyl)-2-nitro-aniline; 4-methyl-2-nitro-aniline

Systemtic Name: 4,5-bis(fluoranyl)-2-nitro-aniline; 4-methyl-2-nitro-aniline Openeye Name: 4,5-difluoro-2-nitro-aniline; 4-methyl-2-nitro-aniline CAS Name: 4,5-difluoro-2-nitroaniline; 4-methyl-2-nitroaniline IUPAC Name: 4,5-difluoro-2-nitroaniline; 4-methyl-2-nitroaniline Traditional Name: (4,5-difluoro-2-nitro-phenyl)amine; (4-methyl-2-nitro-phenyl)amine Formula: C13H12F2N4O4 MolecularWeight: 326.255586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N)[N+](=O)[O-].C1=C(C(=CC(=C1F)F)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=C(C=C1)N)[N+](=O)[O-].C1=C(C(=CC(=C1F)F)[N+](=O)[O-])N

InChI

InChI=1S/C7H8N2O2.C6H4F2N2O2/c1-5-2-3-6(8)7(4-5)9(10)11;7-3-1-5(9)6(10(11)12)2-4(3)8/h2-4H,8H2,1H3;1-2H,9H2