1-[2-(3-methyl-4-nitro-phenoxy)ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]triazole-4-carboxylate CAS Name: 1-[2-(3-methyl-4-nitrophenoxy)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(3-methyl-4-nitrophenoxy)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]triazole-4-carboxylate Formula: C12H11N4O5- MolecularWeight: 291.23954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN2C=C(N=N2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN2C=C(N=N2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O5/c1-8-6-9(2-3-11(8)16(19)20)21-5-4-15-7-10(12(17)18)13-14-15/h2-3,6-7H,4-5H2,1H3,(H,17,18)/p-1