N-(benzotriazol-1-ylmethyl)-3,5-dinitro-aniline

Systemtic Name: N-(benzotriazol-1-ylmethyl)-3,5-dinitro-aniline Openeye Name: N-(benzotriazol-1-ylmethyl)-3,5-dinitro-aniline CAS Name: N-(1-benzotriazolylmethyl)-3,5-dinitroaniline IUPAC Name: N-(benzotriazol-1-ylmethyl)-3,5-dinitroaniline Traditional Name: benzotriazol-1-ylmethyl-(3,5-dinitrophenyl)amine Formula: C13H10N6O4 MolecularWeight: 314.2563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CNC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CNC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O4/c20-18(21)10-5-9(6-11(7-10)19(22)23)14-8-17-13-4-2-1-3-12(13)15-16-17/h1-7,14H,8H2