4-[2-(furan-2-ylmethylamino)ethyl]-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: 4-[2-(furan-2-ylmethylamino)ethyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 4-[2-(2-furylmethylamino)ethyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 4-[2-(2-furanylmethylamino)ethyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 4-[2-(furan-2-ylmethylamino)ethyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: 2-furfuryl-[2-[4-[(3-nitrobenzyl)amino]phenyl]ethyl]amine Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=C(C=C2)CCNCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=C(C=C2)CCNCC3=CC=CO3

InChI

InChI=1S/C20H21N3O3/c24-23(25)19-4-1-3-17(13-19)14-22-18-8-6-16(7-9-18)10-11-21-15-20-5-2-12-26-20/h1-9,12-13,21-22H,10-11,14-15H2