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

Systemtic Name: ethyl 3-nitro-5-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoate Openeye Name: ethyl 3-nitro-5-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(1H-1,2,4-triazol-5-ylcarbamoyl)benzoic acid ethyl ester Formula: C12H11N5O5 MolecularWeight: 305.24624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5/c1-2-22-11(19)8-3-7(4-9(5-8)17(20)21)10(18)15-12-13-6-14-16-12/h3-6H,2H2,1H3,(H2,13,14,15,16,18)