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

Systemtic Name: (E)-4-ethoxy-4-methyl-1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-4-ethoxy-4-methyl-1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-4-ethoxy-4-methyl-1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-4-ethoxy-4-methyl-1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-4-ethoxy-4-methyl-1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4/c1-4-24-16(2,3)15(21)14(19-11-17-10-18-19)9-12-5-7-13(8-6-12)20(22)23/h5-11H,4H2,1-3H3/b14-9+