[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)CC)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)CC)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-4-6-13-30-22-23-20(17-11-8-16(5-2)9-12-17)25(24-22)21(27)18-10-7-15(3)19(14-18)26(28)29/h7-12,14H,4-6,13H2,1-3H3