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

Systemtic Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-5-13-30-21-23-19(15-9-11-17(12-10-15)22(2,3)4)25(24-21)20(27)16-7-6-8-18(14-16)26(28)29/h6-12,14H,5,13H2,1-4H3