(2-nitrophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (2-nitrophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (2-nitrobenzyl) ester Formula: C15H11N5O4 MolecularWeight: 325.27894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O4/c21-15(24-8-11-4-1-2-6-13(11)20(22)23)12-5-3-7-17-14(12)19-10-16-9-18-19/h1-7,9-10H,8H2