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

Systemtic Name: (E)-4-methoxy-4-methyl-1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-4-methoxy-4-methyl-1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-4-methoxy-4-methyl-1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-4-methoxy-4-methyl-1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-4-methoxy-4-methyl-1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O4/c1-15(2,23-3)14(20)13(18-10-16-9-17-18)8-11-4-6-12(7-5-11)19(21)22/h4-10H,1-3H3/b13-8+