methyl 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzoate

Systemtic Name: methyl 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzoate Openeye Name: methyl 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzoate CAS Name: 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzoate Traditional Name: 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzoic acid methyl ester Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCN2C=NC=N2

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCN2C=NC=N2

InChI

InChI=1S/C12H13N5O4/c1-21-12(18)10-6-9(17(19)20)2-3-11(10)14-4-5-16-8-13-7-15-16/h2-3,6-8,14H,4-5H2,1H3