methyl 2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: methyl 2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]acetic acid methyl ester Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=NN(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O4/c1-25-16(22)11-15-18-17(12-7-9-14(10-8-12)21(23)24)20(19-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3