benzotriazol-1-yl-(4-nitrophenyl)methanamine

Systemtic Name: benzotriazol-1-yl-(4-nitrophenyl)methanamine Openeye Name: benzotriazol-1-yl-(4-nitrophenyl)methanamine CAS Name: 1-benzotriazolyl-(4-nitrophenyl)methanamine IUPAC Name: benzotriazol-1-yl-(4-nitrophenyl)methanamine Traditional Name: [benzotriazol-1-yl-(4-nitrophenyl)methyl]amine Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C13H11N5O2/c14-13(9-5-7-10(8-6-9)18(19)20)17-12-4-2-1-3-11(12)15-16-17/h1-8,13H,14H2