N-[(4-nitrophenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)aniline

Systemtic Name: N-[(4-nitrophenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)aniline Openeye Name: N-[(4-nitrophenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)aniline CAS Name: N-[(4-nitrophenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)aniline IUPAC Name: N-[(4-nitrophenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)aniline Traditional Name: (4-nitrobenzyl)-[3-(1,2,4-triazol-1-ylmethyl)phenyl]amine Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC=C(C=C2)[N+](=O)[O-])CN3C=NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC=C(C=C2)[N+](=O)[O-])CN3C=NC=N3

InChI

InChI=1S/C16H15N5O2/c22-21(23)16-6-4-13(5-7-16)9-18-15-3-1-2-14(8-15)10-20-12-17-11-19-20/h1-8,11-12,18H,9-10H2