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

Systemtic Name: (2-nitrophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (2-nitrophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-nitrobenzyl) ester Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4/c21-16(24-9-13-3-1-2-4-15(13)20(22)23)12-5-7-14(8-6-12)19-11-17-10-18-19/h1-8,10-11H,9H2