N-[4-[4-ethyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[4-ethyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[4-ethyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[4-ethyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[4-ethyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[4-ethyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]phenyl]-4-nitro-benzamide Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(O1)(CN2C=NC=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1COC(O1)(CN2C=NC=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-2-19-11-30-21(31-19,12-25-14-22-13-23-25)16-5-7-17(8-6-16)24-20(27)15-3-9-18(10-4-15)26(28)29/h3-10,13-14,19H,2,11-12H2,1H3,(H,24,27)