3-methyl-4-nitro-N-pentan-2-yl-aniline

Systemtic Name: 3-methyl-4-nitro-N-pentan-2-yl-aniline Openeye Name: 3-methyl-N-(1-methylbutyl)-4-nitro-aniline CAS Name: 3-methyl-4-nitro-N-pentan-2-ylaniline IUPAC Name: 3-methyl-4-nitro-N-pentan-2-ylaniline Traditional Name: 1-methylbutyl-(3-methyl-4-nitro-phenyl)amine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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