N-butan-2-yl-3,5-dimethyl-4-nitro-aniline

Systemtic Name: N-butan-2-yl-3,5-dimethyl-4-nitro-aniline Openeye Name: 3,5-dimethyl-4-nitro-N-sec-butyl-aniline CAS Name: N-butan-2-yl-3,5-dimethyl-4-nitroaniline IUPAC Name: N-butan-2-yl-3,5-dimethyl-4-nitroaniline Traditional Name: (3,5-dimethyl-4-nitro-phenyl)-sec-butyl-amine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=CC(=C(C(=C1)C)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)NC1=CC(=C(C(=C1)C)[N+](=O)[O-])C

InChI

InChI=1S/C12H18N2O2/c1-5-10(4)13-11-6-8(2)12(14(15)16)9(3)7-11/h6-7,10,13H,5H2,1-4H3