methyl 4-[[(4-nitrophenyl)-(1,2,4-triazol-4-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-nitrophenyl)-(1,2,4-triazol-4-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[4-nitro-N-(1,2,4-triazol-4-yl)anilino]methyl]benzoate CAS Name: 4-[[4-nitro-N-(1,2,4-triazol-4-yl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-nitro-N-(1,2,4-triazol-4-yl)anilino]methyl]benzoate Traditional Name: 4-[[4-nitro-N-(1,2,4-triazol-4-yl)anilino]methyl]benzoic acid methyl ester Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3

InChI

InChI=1S/C17H15N5O4/c1-26-17(23)14-4-2-13(3-5-14)10-21(20-11-18-19-12-20)15-6-8-16(9-7-15)22(24)25/h2-9,11-12H,10H2,1H3