N-[3-[(3,5-dinitrophenyl)carbonylamino]-1H-1,2,4-triazol-5-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[3-[(3,5-dinitrophenyl)carbonylamino]-1H-1,2,4-triazol-5-yl]-3,5-dinitro-benzamide Openeye Name: N-[3-[(3,5-dinitrobenzoyl)amino]-1H-1,2,4-triazol-5-yl]-3,5-dinitro-benzamide CAS Name: N-[3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1H-1,2,4-triazol-5-yl]-3,5-dinitrobenzamide IUPAC Name: N-[3-[(3,5-dinitrobenzoyl)amino]-1H-1,2,4-triazol-5-yl]-3,5-dinitrobenzamide Traditional Name: N-[3-[(3,5-dinitrobenzoyl)amino]-1H-1,2,4-triazol-5-yl]-3,5-dinitro-benzamide Formula: C16H9N9O10 MolecularWeight: 487.29696

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=NC(=NN2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=NC(=NN2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H9N9O10/c26-13(7-1-9(22(28)29)5-10(2-7)23(30)31)17-15-19-16(21-20-15)18-14(27)8-3-11(24(32)33)6-12(4-8)25(34)35/h1-6H,(H3,17,18,19,20,21,26,27)