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

Systemtic Name: [3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-3-5-13-29-21-22-19(16-11-9-15(4-2)10-12-16)24(23-21)20(26)17-7-6-8-18(14-17)25(27)28/h6-12,14H,3-5,13H2,1-2H3