N-[(4-nitrobenzotriazol-1-yl)methyl]-1-phenyl-methanamine

Systemtic Name: N-[(4-nitrobenzotriazol-1-yl)methyl]-1-phenyl-methanamine Openeye Name: N-[(4-nitrobenzotriazol-1-yl)methyl]-1-phenyl-methanamine CAS Name: N-[(4-nitro-1-benzotriazolyl)methyl]-1-phenylmethanamine IUPAC Name: N-[(4-nitrobenzotriazol-1-yl)methyl]-1-phenylmethanamine Traditional Name: benzyl-[(4-nitrobenzotriazol-1-yl)methyl]amine Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCN2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

C1=CC=C(C=C1)CNCN2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C14H13N5O2/c20-19(21)13-8-4-7-12-14(13)16-17-18(12)10-15-9-11-5-2-1-3-6-11/h1-8,15H,9-10H2