N-(1,3-benzodioxol-5-ylmethyl)-6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzotriazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(benzotriazol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C18H13N7O4 MolecularWeight: 391.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H13N7O4/c26-25(27)16-17(19-8-11-5-6-14-15(7-11)29-10-28-14)20-9-21-18(16)24-13-4-2-1-3-12(13)22-23-24/h1-7,9H,8,10H2,(H,19,20,21)