N-butyl-4,5-dimethyl-2-nitro-aniline

Systemtic Name: N-butyl-4,5-dimethyl-2-nitro-aniline Openeye Name: N-butyl-4,5-dimethyl-2-nitro-aniline CAS Name: N-butyl-4,5-dimethyl-2-nitroaniline IUPAC Name: N-butyl-4,5-dimethyl-2-nitroaniline Traditional Name: butyl-(4,5-dimethyl-2-nitro-phenyl)amine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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