4-butyl-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: 4-butyl-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 4-butyl-N-[(3-nitrophenyl)methyl]aniline CAS Name: 4-butyl-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 4-butyl-N-[(3-nitrophenyl)methyl]aniline Traditional Name: (4-butylphenyl)-(3-nitrobenzyl)amine Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O2/c1-2-3-5-14-8-10-16(11-9-14)18-13-15-6-4-7-17(12-15)19(20)21/h4,6-12,18H,2-3,5,13H2,1H3