(2-phenyl-1,2,3-triazol-4-yl)methyl 2-methyl-3-nitro-benzoate

Systemtic Name: (2-phenyl-1,2,3-triazol-4-yl)methyl 2-methyl-3-nitro-benzoate Openeye Name: (2-phenyltriazol-4-yl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (2-phenyl-4-triazolyl)methyl ester IUPAC Name: (2-phenyltriazol-4-yl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (2-phenyltriazol-4-yl)methyl ester Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=NN(N=C2)C3=CC=CC=C3

InChI

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