3-methyl-N-[(5-nitrofuran-2-yl)methyl]-1-phenyl-butan-1-amine

Systemtic Name: 3-methyl-N-[(5-nitrofuran-2-yl)methyl]-1-phenyl-butan-1-amine Openeye Name: 3-methyl-N-[(5-nitro-2-furyl)methyl]-1-phenyl-butan-1-amine CAS Name: 3-methyl-N-[(5-nitro-2-furanyl)methyl]-1-phenyl-1-butanamine IUPAC Name: 3-methyl-N-[(5-nitrofuran-2-yl)methyl]-1-phenylbutan-1-amine Traditional Name: (3-methyl-1-phenyl-butyl)-[(5-nitro-2-furyl)methyl]amine Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NCC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NCC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O3/c1-12(2)10-15(13-6-4-3-5-7-13)17-11-14-8-9-16(21-14)18(19)20/h3-9,12,15,17H,10-11H2,1-2H3