(4-tert-butylphenyl)-(2-methyl-5-nitro-phenyl)methanamine

Systemtic Name: (4-tert-butylphenyl)-(2-methyl-5-nitro-phenyl)methanamine Openeye Name: (4-tert-butylphenyl)-(2-methyl-5-nitro-phenyl)methanamine CAS Name: (4-tert-butylphenyl)-(2-methyl-5-nitrophenyl)methanamine IUPAC Name: (4-tert-butylphenyl)-(2-methyl-5-nitrophenyl)methanamine Traditional Name: [(4-tert-butylphenyl)-(2-methyl-5-nitro-phenyl)methyl]amine Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(C2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C(C2=CC=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C18H22N2O2/c1-12-5-10-15(20(21)22)11-16(12)17(19)13-6-8-14(9-7-13)18(2,3)4/h5-11,17H,19H2,1-4H3