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

Systemtic Name: 4-chloranyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide Formula: C23H18ClN5O4 MolecularWeight: 463.87312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C23H18ClN5O4/c1-14-3-5-15(6-4-14)21-26-23(33-2)27-28(21)18-10-8-17(9-11-18)25-22(30)16-7-12-19(24)20(13-16)29(31)32/h3-13H,1-2H3,(H,25,30)