N-butyl-3,5-dimethyl-4-nitro-aniline

Systemtic Name: N-butyl-3,5-dimethyl-4-nitro-aniline Openeye Name: N-butyl-3,5-dimethyl-4-nitro-aniline CAS Name: N-butyl-3,5-dimethyl-4-nitroaniline IUPAC Name: N-butyl-3,5-dimethyl-4-nitroaniline Traditional Name: butyl-(3,5-dimethyl-4-nitro-phenyl)amine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C(C(=C1)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCNC1=CC(=C(C(=C1)C)[N+](=O)[O-])C

InChI

InChI=1S/C12H18N2O2/c1-4-5-6-13-11-7-9(2)12(14(15)16)10(3)8-11/h7-8,13H,4-6H2,1-3H3