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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-(1-benzotriazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(benzotriazol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C17H11N7O4 MolecularWeight: 377.31374

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C17H11N7O4/c25-24(26)15-16(20-10-5-6-13-14(7-10)28-9-27-13)18-8-19-17(15)23-12-4-2-1-3-11(12)21-22-23/h1-8H,9H2,(H,18,19,20)