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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

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