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

Systemtic Name: methyl 3-nitro-4-(1,2,4-triazol-1-yl)benzoate Openeye Name: methyl 3-nitro-4-(1,2,4-triazol-1-yl)benzoate CAS Name: 3-nitro-4-(1,2,4-triazol-1-yl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 3-nitro-4-(1,2,4-triazol-1-yl)benzoic acid methyl ester Formula: C10H8N4O4 MolecularWeight: 248.19492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N4O4/c1-18-10(15)7-2-3-8(9(4-7)14(16)17)13-6-11-5-12-13/h2-6H,1H3