4-methyl-N-[4-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[4-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[3-isopropoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-N-[4-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[4-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[3-isopropoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]phenyl]-4-methyl-3-nitro-benzamide Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=NC(=N3)OC(C)C)C4=CC=CC=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=NC(=N3)OC(C)C)C4=CC=CC=C4C)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O4/c1-16(2)35-26-28-24(22-8-6-5-7-17(22)3)30(29-26)21-13-11-20(12-14-21)27-25(32)19-10-9-18(4)23(15-19)31(33)34/h5-16H,1-4H3,(H,27,32)