[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone Openeye Name: [5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone CAS Name: [5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone IUPAC Name: [5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: (4-nitrophenyl)-[5-(p-anisylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H19N5O4/c1-32-20-13-7-16(8-14-20)15-24-23-25-21(17-5-3-2-4-6-17)26-27(23)22(29)18-9-11-19(12-10-18)28(30)31/h2-14H,15H2,1H3,(H,24,25,26)