cyclobutyl-(3,4-dimethyl-5-nitro-phenyl)methanamine

Systemtic Name: cyclobutyl-(3,4-dimethyl-5-nitro-phenyl)methanamine Openeye Name: cyclobutyl-(3,4-dimethyl-5-nitro-phenyl)methanamine CAS Name: cyclobutyl-(3,4-dimethyl-5-nitrophenyl)methanamine IUPAC Name: cyclobutyl-(3,4-dimethyl-5-nitrophenyl)methanamine Traditional Name: [cyclobutyl-(3,4-dimethyl-5-nitro-phenyl)methyl]amine Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2CCC2)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C2CCC2)N)[N+](=O)[O-])C

InChI

InChI=1S/C13H18N2O2/c1-8-6-11(13(14)10-4-3-5-10)7-12(9(8)2)15(16)17/h6-7,10,13H,3-5,14H2,1-2H3