6-(benzotriazol-1-yl)-5-nitro-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-5-nitro-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-5-nitro-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C13H11N7O2 MolecularWeight: 297.27214

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H11N7O2/c1-2-7-14-12-11(20(21)22)13(16-8-15-12)19-10-6-4-3-5-9(10)17-18-19/h2-6,8H,1,7H2,(H,14,15,16)