methyl 3-nitro-5-(1,2,4-triazol-4-ylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(1,2,4-triazol-4-ylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(1,2,4-triazol-4-ylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(1,2,4-triazol-4-ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(1,2,4-triazol-4-ylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(1,2,4-triazol-4-ylcarbamoyl)benzoic acid methyl ester Formula: C11H9N5O5 MolecularWeight: 291.21966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NN2C=NN=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NN2C=NN=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O5/c1-21-11(18)8-2-7(3-9(4-8)16(19)20)10(17)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,17)