1,2,4-triazol-1-ylmethyl 4-nitrobenzoate

Systemtic Name: 1,2,4-triazol-1-ylmethyl 4-nitrobenzoate Openeye Name: 1,2,4-triazol-1-ylmethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1,2,4-triazol-1-ylmethyl ester IUPAC Name: 1,2,4-triazol-1-ylmethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1,2,4-triazol-1-ylmethyl ester Formula: C10H8N4O4 MolecularWeight: 248.19492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCN2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCN2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O4/c15-10(18-7-13-6-11-5-12-13)8-1-3-9(4-2-8)14(16)17/h1-6H,7H2