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

Systemtic Name: 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]-3-nitro-benzamide CAS Name: N-[4-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]-3-nitrobenzamide IUPAC Name: 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]-3-nitro-benzamide Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NN2C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NN2C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC(C)C

InChI

InChI=1S/C25H23N5O4/c1-16(2)34-25-27-23(22-10-5-4-7-17(22)3)29(28-25)20-13-11-19(12-14-20)26-24(31)18-8-6-9-21(15-18)30(32)33/h4-16H,1-3H3,(H,26,31)