N-[2-(4-tert-butylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-21(2,3)16-5-7-17(8-6-16)30-11-10-23-20(27)15-4-9-18(19(12-15)26(28)29)25-14-22-13-24-25/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)