(E)-5-methyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)hex-1-en-3-one

Systemtic Name: (E)-5-methyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)hex-1-en-3-one Openeye Name: (E)-5-methyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)hex-1-en-3-one CAS Name: (E)-5-methyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)-1-hexen-3-one IUPAC Name: (E)-5-methyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)hex-1-en-3-one Traditional Name: (E)-5-methyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)hex-1-en-3-one Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])N2C=NC=N2

Isomeric SMILES

CC(C)CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/N2C=NC=N2

InChI

InChI=1S/C15H16N4O3/c1-11(2)6-15(20)14(18-10-16-9-17-18)8-12-4-3-5-13(7-12)19(21)22/h3-5,7-11H,6H2,1-2H3/b14-8+