[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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