1-(benzotriazol-1-yl)-2-(2,4-dinitrophenyl)ethanone

Systemtic Name: 1-(benzotriazol-1-yl)-2-(2,4-dinitrophenyl)ethanone Openeye Name: 1-(benzotriazol-1-yl)-2-(2,4-dinitrophenyl)ethanone CAS Name: 1-(1-benzotriazolyl)-2-(2,4-dinitrophenyl)ethanone IUPAC Name: 1-(benzotriazol-1-yl)-2-(2,4-dinitrophenyl)ethanone Traditional Name: 1-(benzotriazol-1-yl)-2-(2,4-dinitrophenyl)ethanone Formula: C14H9N5O5 MolecularWeight: 327.25176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O5/c20-14(17-12-4-2-1-3-11(12)15-16-17)7-9-5-6-10(18(21)22)8-13(9)19(23)24/h1-6,8H,7H2