1-adamantyl-(3-methyl-5-nitro-phenyl)methanamine

Systemtic Name: 1-adamantyl-(3-methyl-5-nitro-phenyl)methanamine Openeye Name: 1-adamantyl-(3-methyl-5-nitro-phenyl)methanamine CAS Name: 1-adamantyl-(3-methyl-5-nitrophenyl)methanamine IUPAC Name: 1-adamantyl-(3-methyl-5-nitrophenyl)methanamine Traditional Name: [1-adamantyl-(3-methyl-5-nitro-phenyl)methyl]amine Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N+](=O)[O-])C(C23CC4CC(C2)CC(C4)C3)N

Isomeric SMILES

CC1=CC(=CC(=C1)[N+](=O)[O-])C(C23CC4CC(C2)CC(C4)C3)N

InChI

InChI=1S/C18H24N2O2/c1-11-2-15(7-16(3-11)20(21)22)17(19)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14,17H,4-6,8-10,19H2,1H3