4-ethyl-N-(2-methylpropyl)-3-nitro-aniline

Systemtic Name: 4-ethyl-N-(2-methylpropyl)-3-nitro-aniline Openeye Name: 4-ethyl-N-isobutyl-3-nitro-aniline CAS Name: 4-ethyl-N-(2-methylpropyl)-3-nitroaniline IUPAC Name: 4-ethyl-N-(2-methylpropyl)-3-nitroaniline Traditional Name: (4-ethyl-3-nitro-phenyl)-isobutyl-amine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O2/c1-4-10-5-6-11(13-8-9(2)3)7-12(10)14(15)16/h5-7,9,13H,4,8H2,1-3H3