2-(4-methoxy-5,7-dinitro-benzotriazol-2-yl)-4,6-dinitro-aniline

Systemtic Name: 2-(4-methoxy-5,7-dinitro-benzotriazol-2-yl)-4,6-dinitro-aniline Openeye Name: 2-(4-methoxy-5,7-dinitro-benzotriazol-2-yl)-4,6-dinitro-aniline CAS Name: 2-(4-methoxy-5,7-dinitro-2-benzotriazolyl)-4,6-dinitroaniline IUPAC Name: 2-(4-methoxy-5,7-dinitrobenzotriazol-2-yl)-4,6-dinitroaniline Traditional Name: [2-(4-methoxy-5,7-dinitro-benzotriazol-2-yl)-4,6-dinitro-phenyl]amine Formula: C13H8N8O9 MolecularWeight: 420.25082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=NN(N=C12)C3=CC(=CC(=C3N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C2=NN(N=C12)C3=CC(=CC(=C3N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N8O9/c1-30-13-9(21(28)29)4-8(20(26)27)11-12(13)16-17(15-11)6-2-5(18(22)23)3-7(10(6)14)19(24)25/h2-4H,14H2,1H3