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

Systemtic Name: N-[4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide Formula: C23H19N5O5 MolecularWeight: 445.42746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H19N5O5/c1-32-20-12-6-15(7-13-20)21-25-23(33-2)26-27(21)18-10-8-17(9-11-18)24-22(29)16-4-3-5-19(14-16)28(30)31/h3-14H,1-2H3,(H,24,29)