1-(1,2,4-triazol-1-yl)ethyl 3-nitrobenzoate

Systemtic Name: 1-(1,2,4-triazol-1-yl)ethyl 3-nitrobenzoate Openeye Name: 1-(1,2,4-triazol-1-yl)ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 1-(1,2,4-triazol-1-yl)ethyl ester IUPAC Name: 1-(1,2,4-triazol-1-yl)ethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 1-(1,2,4-triazol-1-yl)ethyl ester Formula: C11H10N4O4 MolecularWeight: 262.2215

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC=N1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(N1C=NC=N1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O4/c1-8(14-7-12-6-13-14)19-11(16)9-3-2-4-10(5-9)15(17)18/h2-8H,1H3