5-methyl-2-(4-nitrophenyl)-4-propyl-1,2,4-triazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-propyl-1,2,4-triazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-propyl-1,2,4-triazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-propyl-1,2,4-triazol-3-one IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-propyl-1,2,4-triazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-propyl-1,2,4-triazol-3-one Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H14N4O3/c1-3-8-14-9(2)13-15(12(14)17)10-4-6-11(7-5-10)16(18)19/h4-7H,3,8H2,1-2H3