(E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one

Systemtic Name: (E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O3/c1-15(2,3)14(20)13(18-10-16-9-17-18)8-11-5-4-6-12(7-11)19(21)22/h4-10H,1-3H3/b13-8+