N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-4-methyl-3-nitro-benzamide Formula: C25H21N5O6 MolecularWeight: 487.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O6/c1-3-34-25-27-23(16-6-11-21-22(13-16)36-14-35-21)29(28-25)19-9-7-18(8-10-19)26-24(31)17-5-4-15(2)20(12-17)30(32)33/h4-13H,3,14H2,1-2H3,(H,26,31)