3-methyl-1-(2-methyl-5-nitro-phenyl)butan-1-amine

Systemtic Name: 3-methyl-1-(2-methyl-5-nitro-phenyl)butan-1-amine Openeye Name: 3-methyl-1-(2-methyl-5-nitro-phenyl)butan-1-amine CAS Name: 3-methyl-1-(2-methyl-5-nitrophenyl)-1-butanamine IUPAC Name: 3-methyl-1-(2-methyl-5-nitrophenyl)butan-1-amine Traditional Name: [3-methyl-1-(2-methyl-5-nitro-phenyl)butyl]amine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(CC(C)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C(CC(C)C)N

InChI

InChI=1S/C12H18N2O2/c1-8(2)6-12(13)11-7-10(14(15)16)5-4-9(11)3/h4-5,7-8,12H,6,13H2,1-3H3