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

Systemtic Name: ethyl 4-(5-methyl-4-nitro-1,2,3-triazol-1-yl)benzoate Openeye Name: ethyl 4-(5-methyl-4-nitro-triazol-1-yl)benzoate CAS Name: 4-(5-methyl-4-nitro-1-triazolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-methyl-4-nitrotriazol-1-yl)benzoate Traditional Name: 4-(5-methyl-4-nitro-triazol-1-yl)benzoic acid ethyl ester Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(N=N2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(N=N2)[N+](=O)[O-])C

InChI

InChI=1S/C12H12N4O4/c1-3-20-12(17)9-4-6-10(7-5-9)15-8(2)11(13-14-15)16(18)19/h4-7H,3H2,1-2H3