1-(3-nitro-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one

Systemtic Name: 1-(3-nitro-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one Openeye Name: 1-(3-nitro-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one CAS Name: 1-(3-nitro-1,2,4-triazol-1-yl)-4-phenyl-2-butanone IUPAC Name: 1-(3-nitro-1,2,4-triazol-1-yl)-4-phenylbutan-2-one Traditional Name: 1-(3-nitro-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3/c17-11(7-6-10-4-2-1-3-5-10)8-15-9-13-12(14-15)16(18)19/h1-5,9H,6-8H2